2-methyl-N-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide

C12H19NO — CID 22456546

IUPAC2-methyl-N-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCCCNC(=O)C1(C)CC2C=CC1C2
InChIInChI=1S/C12H19NO/c1-3-6-13-11(14)12(2)8-9-4-5-10(12)7-9/h4-5,9-10H,3,6-8H2,1-2H3,(H,13,14)
InChIKeyAUHRRZZXJIEENV-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.11
Rot. Bonds3

About 2-methyl-N-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide

2-methyl-N-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 22456546) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-methyl-N-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID22456546
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-methyl-N-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCCCNC(=O)C1(C)CC2C=CC1C2
InChIInChI=1S/C12H19NO/c1-3-6-13-11(14)12(2)8-9-4-5-10(12)7-9/h4-5,9-10H,3,6-8H2,1-2H3,(H,13,14)
InChIKeyAUHRRZZXJIEENV-UHFFFAOYSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-Norbornene-2,3-dicarboxamide, N,N'-diethyl-, trans-
CID 99857
5-Norbornene-2,3-dicarboxamide, N,N,N'-triethyl-, trans-
CID 3046205
N-(2-aminoethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 60965883
N-(3-aminopropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 62268447
N-[[(1S,4S,6S)-4-[2-(cyclopentylamino)-2-oxoethyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-3,3-dimethylbutanamide
CID 38027296
N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 3438395
N-ethylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 275566
N-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 275568
2-N,3-N-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 428691
2-N,3-N-dibutylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 428694
(1r,4r)-N-((1r,4R)-4-aminocyclohexyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 132219856
2-(N,N-dimethylaminoethyl)norborn-5-ene-2-ylcarboxylic amide
CID 129835255

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of 2-methyl-N-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 22456546) is 2-methyl-N-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for 2-methyl-N-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for 2-methyl-N-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide is CCCNC(=O)C1(C)CC2C=CC1C2.
What is the InChIKey of 2-methyl-N-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is AUHRRZZXJIEENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-6-13-11(14)12(2)8-9-4-5-10(12)7-9/h4-5,9-10H,3,6-8H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-N-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
2-methyl-N-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 193.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 22456546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).