N-[(2R)-3-methylbutan-2-yl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

C14H16N2O — CID 141405544

IUPACN-[(2R)-3-methylbutan-2-yl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)c1ccc2c3[nH]c-3cc1-2
InChIInChI=1S/C14H16N2O/c1-7(2)8(3)15-14(17)10-5-4-9-11(10)6-12-13(9)16-12/h4-8,16H,1-3H3,(H,15,17)/t8-/m1/s1
InChIKeyLPQWLMVDILBABD-MRVPVSSYSA-N
MW228.29 g/mol
LogP2.87
Rot. Bonds3

About N-[(2R)-3-methylbutan-2-yl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

N-[(2R)-3-methylbutan-2-yl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141405544) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is N-[(2R)-3-methylbutan-2-yl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-methylbutan-2-yl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141405544
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC NameN-[(2R)-3-methylbutan-2-yl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)c1ccc2c3[nH]c-3cc1-2
InChIInChI=1S/C14H16N2O/c1-7(2)8(3)15-14(17)10-5-4-9-11(10)6-12-13(9)16-12/h4-8,16H,1-3H3,(H,15,17)/t8-/m1/s1
InChIKeyLPQWLMVDILBABD-MRVPVSSYSA-N
XLogP2.87
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methylbutan-2-yl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-[(2R)-3-methylbutan-2-yl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 141405544) is N-[(2R)-3-methylbutan-2-yl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-[(2R)-3-methylbutan-2-yl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-[(2R)-3-methylbutan-2-yl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is CC(C)[C@@H](C)NC(=O)c1ccc2c3[nH]c-3cc1-2.
What is the InChIKey of N-[(2R)-3-methylbutan-2-yl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is LPQWLMVDILBABD-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-7(2)8(3)15-14(17)10-5-4-9-11(10)6-12-13(9)16-12/h4-8,16H,1-3H3,(H,15,17)/t8-/m1/s1.
What are the key properties of N-[(2R)-3-methylbutan-2-yl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-[(2R)-3-methylbutan-2-yl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 228.29 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methylbutan-2-yl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 141405544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).