1-[(2R)-1-[(1S,12S)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-1-oxopropan-2-yl]pyrrolidin-2-one

C19H23N5O2 — CID 98062437

IUPAC1-[(2R)-1-[(1S,12S)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-1-oxopropan-2-yl]pyrrolidin-2-one
SMILESCc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1C(=O)[C@@H](C)N1CCCC1=O
InChIInChI=1S/C19H23N5O2/c1-11-8-17-20-10-14-15-6-5-13(9-16(14)24(17)21-11)23(15)19(26)12(2)22-7-3-4-18(22)25/h8,10,12-13,15H,3-7,9H2,1-2H3/t12-,13+,15+/m1/s1
InChIKeySAEIIGQQKMFAHB-IPYPFGDCSA-N
MW353.43 g/mol
LogP1.64
Rot. Bonds2

About 1-[(2R)-1-[(1S,12S)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-1-oxopropan-2-yl]pyrrolidin-2-one

1-[(2R)-1-[(1S,12S)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-1-oxopropan-2-yl]pyrrolidin-2-one (PubChem CID 98062437) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-[(2R)-1-[(1S,12S)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-1-oxopropan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2R)-1-[(1S,12S)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-1-oxopropan-2-yl]pyrrolidin-2-one
PubChem CID98062437
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name1-[(2R)-1-[(1S,12S)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-1-oxopropan-2-yl]pyrrolidin-2-one
SMILESCc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1C(=O)[C@@H](C)N1CCCC1=O
InChIInChI=1S/C19H23N5O2/c1-11-8-17-20-10-14-15-6-5-13(9-16(14)24(17)21-11)23(15)19(26)12(2)22-7-3-4-18(22)25/h8,10,12-13,15H,3-7,9H2,1-2H3/t12-,13+,15+/m1/s1
InChIKeySAEIIGQQKMFAHB-IPYPFGDCSA-N
XLogP1.64
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-1-[(1S,12S)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-1-oxopropan-2-yl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-[(1S,12S)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-1-oxopropan-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(2R)-1-[(1S,12S)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-1-oxopropan-2-yl]pyrrolidin-2-one (CID 98062437) is 1-[(2R)-1-[(1S,12S)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-1-oxopropan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2R)-1-[(1S,12S)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-1-oxopropan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2R)-1-[(1S,12S)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-1-oxopropan-2-yl]pyrrolidin-2-one is Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1C(=O)[C@@H](C)N1CCCC1=O.
What is the InChIKey of 1-[(2R)-1-[(1S,12S)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-1-oxopropan-2-yl]pyrrolidin-2-one?
The InChIKey is SAEIIGQQKMFAHB-IPYPFGDCSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-11-8-17-20-10-14-15-6-5-13(9-16(14)24(17)21-11)23(15)19(26)12(2)22-7-3-4-18(22)25/h8,10,12-13,15H,3-7,9H2,1-2H3/t12-,13+,15+/m1/s1.
What are the key properties of 1-[(2R)-1-[(1S,12S)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-1-oxopropan-2-yl]pyrrolidin-2-one?
1-[(2R)-1-[(1S,12S)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-1-oxopropan-2-yl]pyrrolidin-2-one has a molecular weight of 353.43 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-[(1S,12S)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-1-oxopropan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 98062437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).