N-(2,3-dihydro-1H-indol-5-yl)bicyclo[4.1.0]heptane-7-carboxamide

C16H20N2O — CID 81479241

IUPACN-(2,3-dihydro-1H-indol-5-yl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCN2)C1C2CCCCC21
InChIInChI=1S/C16H20N2O/c19-16(15-12-3-1-2-4-13(12)15)18-11-5-6-14-10(9-11)7-8-17-14/h5-6,9,12-13,15,17H,1-4,7-8H2,(H,18,19)
InChIKeyHUBYCXURUQFAIL-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.03
Rot. Bonds2

About N-(2,3-dihydro-1H-indol-5-yl)bicyclo[4.1.0]heptane-7-carboxamide

N-(2,3-dihydro-1H-indol-5-yl)bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 81479241) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-5-yl)bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-5-yl)bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID81479241
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-(2,3-dihydro-1H-indol-5-yl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCN2)C1C2CCCCC21
InChIInChI=1S/C16H20N2O/c19-16(15-12-3-1-2-4-13(12)15)18-11-5-6-14-10(9-11)7-8-17-14/h5-6,9,12-13,15,17H,1-4,7-8H2,(H,18,19)
InChIKeyHUBYCXURUQFAIL-UHFFFAOYSA-N
XLogP3.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-indol-5-yl)cyclobutanecarboxamide
CID 63252649
N-(1,2,3,4-tetrahydroquinolin-6-yl)cycloheptanecarboxamide
CID 62633858
(1R,6R)-N-[4-[4-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]phenyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 6968106
2-cyclobutyl-N-(2,3-dihydro-1H-indol-5-yl)acetamide;hydrochloride
CID 119473771
N-(1,2,3,4-tetrahydroquinolin-6-yl)cyclopent-3-ene-1-carboxamide
CID 64767021
N-(2,3-dihydro-1H-indol-5-yl)-2-phenylcyclopropane-1-carboxamide
CID 81485516
N-(1,2,3,4-tetrahydroquinolin-6-yl)oxolane-3-carboxamide
CID 55138702
N-(1,2,3,4-tetrahydroquinolin-6-yl)thiolane-2-carboxamide;hydrochloride
CID 119547205
2-oxo-N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazolidine-4-carboxamide
CID 63283396
1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-6-yl)urea
CID 62698159
N-(1,2,3,4-tetrahydroquinolin-6-yl)oxane-3-carboxamide
CID 63012221
N-(2,3-dihydro-1H-indol-5-yl)-1-methylcyclopropane-1-carboxamide
CID 119473770

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-5-yl)bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-indol-5-yl)bicyclo[4.1.0]heptane-7-carboxamide (CID 81479241) is N-(2,3-dihydro-1H-indol-5-yl)bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-5-yl)bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-indol-5-yl)bicyclo[4.1.0]heptane-7-carboxamide is O=C(Nc1ccc2c(c1)CCN2)C1C2CCCCC21.
What is the InChIKey of N-(2,3-dihydro-1H-indol-5-yl)bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is HUBYCXURUQFAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c19-16(15-12-3-1-2-4-13(12)15)18-11-5-6-14-10(9-11)7-8-17-14/h5-6,9,12-13,15,17H,1-4,7-8H2,(H,18,19).
What are the key properties of N-(2,3-dihydro-1H-indol-5-yl)bicyclo[4.1.0]heptane-7-carboxamide?
N-(2,3-dihydro-1H-indol-5-yl)bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-5-yl)bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 81479241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).