(1R,10R)-13-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]-5-methyl-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one

C19H25N3O2 — CID 136676375

IUPAC(1R,10R)-13-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]-5-methyl-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one
SMILESCc1nc2c(c(=O)[nH]1)C[C@H]1CC[C@H](C2)N1C(=O)C1[C@H]2CCCC[C@H]12
InChIInChI=1S/C19H25N3O2/c1-10-20-16-9-12-7-6-11(8-15(16)18(23)21-10)22(12)19(24)17-13-4-2-3-5-14(13)17/h11-14,17H,2-9H2,1H3,(H,20,21,23)/t11-,12-,13+,14+/m1/s1
InChIKeyMONFKTNMKMNYNQ-MQYQWHSLSA-N
MW327.43 g/mol
LogP1.97
Rot. Bonds1

About (1R,10R)-13-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]-5-methyl-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one

(1R,10R)-13-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]-5-methyl-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one (PubChem CID 136676375) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (1R,10R)-13-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]-5-methyl-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one.

Molecular Properties

Compound Name(1R,10R)-13-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]-5-methyl-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one
PubChem CID136676375
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(1R,10R)-13-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]-5-methyl-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one
SMILESCc1nc2c(c(=O)[nH]1)C[C@H]1CC[C@H](C2)N1C(=O)C1[C@H]2CCCC[C@H]12
InChIInChI=1S/C19H25N3O2/c1-10-20-16-9-12-7-6-11(8-15(16)18(23)21-10)22(12)19(24)17-13-4-2-3-5-14(13)17/h11-14,17H,2-9H2,1H3,(H,20,21,23)/t11-,12-,13+,14+/m1/s1
InChIKeyMONFKTNMKMNYNQ-MQYQWHSLSA-N
XLogP1.97
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,10R)-13-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]-5-methyl-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,10R)-13-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]-5-methyl-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one?
The IUPAC name of (1R,10R)-13-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]-5-methyl-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one (CID 136676375) is (1R,10R)-13-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]-5-methyl-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one.
What is the SMILES notation for (1R,10R)-13-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]-5-methyl-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one?
The canonical SMILES for (1R,10R)-13-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]-5-methyl-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one is Cc1nc2c(c(=O)[nH]1)C[C@H]1CC[C@H](C2)N1C(=O)C1[C@H]2CCCC[C@H]12.
What is the InChIKey of (1R,10R)-13-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]-5-methyl-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one?
The InChIKey is MONFKTNMKMNYNQ-MQYQWHSLSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-10-20-16-9-12-7-6-11(8-15(16)18(23)21-10)22(12)19(24)17-13-4-2-3-5-14(13)17/h11-14,17H,2-9H2,1H3,(H,20,21,23)/t11-,12-,13+,14+/m1/s1.
What are the key properties of (1R,10R)-13-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]-5-methyl-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one?
(1R,10R)-13-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]-5-methyl-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one has a molecular weight of 327.43 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10R)-13-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]-5-methyl-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one is sourced from PubChem (CID 136676375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).