1-pyrrol-1-yl-3,4,4a,5,5a,6-hexahydrotetracene-2-carboxamide

C23H22N2O — CID 177229046

IUPAC1-pyrrol-1-yl-3,4,4a,5,5a,6-hexahydrotetracene-2-carboxamide
SMILESNC(=O)C1=C(n2cccc2)C2=CC3=Cc4ccccc4CC3CC2CC1
InChIInChI=1S/C23H22N2O/c24-23(26)20-8-7-17-13-18-11-15-5-1-2-6-16(15)12-19(18)14-21(17)22(20)25-9-3-4-10-25/h1-6,9-10,12,14,17-18H,7-8,11,13H2,(H2,24,26)
InChIKeyRRBKEFQRDSFUAC-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.18
Rot. Bonds2

About 1-pyrrol-1-yl-3,4,4a,5,5a,6-hexahydrotetracene-2-carboxamide

1-pyrrol-1-yl-3,4,4a,5,5a,6-hexahydrotetracene-2-carboxamide (PubChem CID 177229046) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-pyrrol-1-yl-3,4,4a,5,5a,6-hexahydrotetracene-2-carboxamide.

Molecular Properties

Compound Name1-pyrrol-1-yl-3,4,4a,5,5a,6-hexahydrotetracene-2-carboxamide
PubChem CID177229046
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name1-pyrrol-1-yl-3,4,4a,5,5a,6-hexahydrotetracene-2-carboxamide
SMILESNC(=O)C1=C(n2cccc2)C2=CC3=Cc4ccccc4CC3CC2CC1
InChIInChI=1S/C23H22N2O/c24-23(26)20-8-7-17-13-18-11-15-5-1-2-6-16(15)12-19(18)14-21(17)22(20)25-9-3-4-10-25/h1-6,9-10,12,14,17-18H,7-8,11,13H2,(H2,24,26)
InChIKeyRRBKEFQRDSFUAC-UHFFFAOYSA-N
XLogP4.18
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,4,4a,5,5a,6-octahydrotetracene-1-carboxamide
CID 137353087
1,2,9,9a-tetrahydrofluoren-3-one
CID 12514901
5-amino-1-[(2R)-2-amino-3-cyclopropylpropyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide
CID 118669450
methyl 2-(2,3-dihydro-1H-inden-1-ylamino)propanoate
CID 60780698
1,2,3,4,12,12a-hexahydrotetracene-2-carboxamide
CID 69129815
3-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)tetrazol-1-yl]butanoic acid
CID 107127903
1-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-2-carboxamide
CID 173080411
1-(3,4-dihydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 7590284
(9aR)-2,2-dimethyl-1,3,9,9a-tetrahydrobenzo[f]isoindol-2-ium
CID 1427198
2-methyl-3-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)tetrazol-1-yl]propanoic acid
CID 107127904
5-amino-1-[[1-(aminomethyl)cyclopropyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide
CID 118669690
methyl (2S)-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanoate
CID 43723688

Frequently Asked Questions

What is the IUPAC name of 1-pyrrol-1-yl-3,4,4a,5,5a,6-hexahydrotetracene-2-carboxamide?
The IUPAC name of 1-pyrrol-1-yl-3,4,4a,5,5a,6-hexahydrotetracene-2-carboxamide (CID 177229046) is 1-pyrrol-1-yl-3,4,4a,5,5a,6-hexahydrotetracene-2-carboxamide.
What is the SMILES notation for 1-pyrrol-1-yl-3,4,4a,5,5a,6-hexahydrotetracene-2-carboxamide?
The canonical SMILES for 1-pyrrol-1-yl-3,4,4a,5,5a,6-hexahydrotetracene-2-carboxamide is NC(=O)C1=C(n2cccc2)C2=CC3=Cc4ccccc4CC3CC2CC1.
What is the InChIKey of 1-pyrrol-1-yl-3,4,4a,5,5a,6-hexahydrotetracene-2-carboxamide?
The InChIKey is RRBKEFQRDSFUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c24-23(26)20-8-7-17-13-18-11-15-5-1-2-6-16(15)12-19(18)14-21(17)22(20)25-9-3-4-10-25/h1-6,9-10,12,14,17-18H,7-8,11,13H2,(H2,24,26).
What are the key properties of 1-pyrrol-1-yl-3,4,4a,5,5a,6-hexahydrotetracene-2-carboxamide?
1-pyrrol-1-yl-3,4,4a,5,5a,6-hexahydrotetracene-2-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrol-1-yl-3,4,4a,5,5a,6-hexahydrotetracene-2-carboxamide is sourced from PubChem (CID 177229046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).