8-butyl-5-(pyrrolidine-1-carbonyl)-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-3,9-dione

C19H27N5O3 — CID 135492572

IUPAC8-butyl-5-(pyrrolidine-1-carbonyl)-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-3,9-dione
SMILESCCCCN1C(=O)N2CCCCC2c2c1nc(C(=O)N1CCCC1)[nH]c2=O
InChIInChI=1S/C19H27N5O3/c1-2-3-11-24-16-14(13-8-4-5-12-23(13)19(24)27)17(25)21-15(20-16)18(26)22-9-6-7-10-22/h13H,2-12H2,1H3,(H,20,21,25)
InChIKeyIDBJWJOFTPXCLZ-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.27
Rot. Bonds4

About 8-butyl-5-(pyrrolidine-1-carbonyl)-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-3,9-dione

8-butyl-5-(pyrrolidine-1-carbonyl)-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-3,9-dione (PubChem CID 135492572) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 8-butyl-5-(pyrrolidine-1-carbonyl)-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-3,9-dione.

Molecular Properties

Compound Name8-butyl-5-(pyrrolidine-1-carbonyl)-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-3,9-dione
PubChem CID135492572
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name8-butyl-5-(pyrrolidine-1-carbonyl)-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-3,9-dione
SMILESCCCCN1C(=O)N2CCCCC2c2c1nc(C(=O)N1CCCC1)[nH]c2=O
InChIInChI=1S/C19H27N5O3/c1-2-3-11-24-16-14(13-8-4-5-12-23(13)19(24)27)17(25)21-15(20-16)18(26)22-9-6-7-10-22/h13H,2-12H2,1H3,(H,20,21,25)
InChIKeyIDBJWJOFTPXCLZ-UHFFFAOYSA-N
XLogP2.27
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-butyl-5-(pyrrolidine-1-carbonyl)-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-3,9-dione with MolForge

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Related Compounds

8-methyl-5-(piperazine-1-carbonyl)-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-3,9-dione
CID 135464197
N,N,8-trimethyl-3,9-dioxo-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-5-carboxamide
CID 135492436
5-(chloromethyl)-8-methyl-9-sulfanylidene-4,6,8,10-tetrazatricyclo[8.7.0.02,7]heptadeca-2(7),5-dien-3-one
CID 135484674
2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 78827345
(7aR)-2-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 27941969
(4S)-1-butyl-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 27186995
2-hexyl-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944085
(5R)-N-ethyl-2-[(2R)-2-ethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137028123
(5S)-N-ethyl-2-[(2R)-2-ethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875762
2-[(3S)-3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-quinazolin-4-one
CID 136743347
2-methyl-5-(pyrrolidine-1-carbonyl)-4H-1,2,4-triazol-3-one
CID 136849730
3-ethyl-2-pentyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932621

Frequently Asked Questions

What is the IUPAC name of 8-butyl-5-(pyrrolidine-1-carbonyl)-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-3,9-dione?
The IUPAC name of 8-butyl-5-(pyrrolidine-1-carbonyl)-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-3,9-dione (CID 135492572) is 8-butyl-5-(pyrrolidine-1-carbonyl)-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-3,9-dione.
What is the SMILES notation for 8-butyl-5-(pyrrolidine-1-carbonyl)-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-3,9-dione?
The canonical SMILES for 8-butyl-5-(pyrrolidine-1-carbonyl)-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-3,9-dione is CCCCN1C(=O)N2CCCCC2c2c1nc(C(=O)N1CCCC1)[nH]c2=O.
What is the InChIKey of 8-butyl-5-(pyrrolidine-1-carbonyl)-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-3,9-dione?
The InChIKey is IDBJWJOFTPXCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-2-3-11-24-16-14(13-8-4-5-12-23(13)19(24)27)17(25)21-15(20-16)18(26)22-9-6-7-10-22/h13H,2-12H2,1H3,(H,20,21,25).
What are the key properties of 8-butyl-5-(pyrrolidine-1-carbonyl)-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-3,9-dione?
8-butyl-5-(pyrrolidine-1-carbonyl)-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-3,9-dione has a molecular weight of 373.46 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-5-(pyrrolidine-1-carbonyl)-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-3,9-dione is sourced from PubChem (CID 135492572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).