N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide

C9H13NO — CID 3438395

IUPACN-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCNC(=O)C1CC2C=CC1C2
InChIInChI=1S/C9H13NO/c1-10-9(11)8-5-6-2-3-7(8)4-6/h2-3,6-8H,4-5H2,1H3,(H,10,11)
InChIKeyQDIURVLTYFGLCN-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.94
Rot. Bonds1

About N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide

N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 3438395) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID3438395
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCNC(=O)C1CC2C=CC1C2
InChIInChI=1S/C9H13NO/c1-10-9(11)8-5-6-2-3-7(8)4-6/h2-3,6-8H,4-5H2,1H3,(H,10,11)
InChIKeyQDIURVLTYFGLCN-UHFFFAOYSA-N
XLogP0.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.94
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

Bicyclo(2.2.1)hept-5-ene-2-carboxamide
CID 96112
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
(1S,2R,3R,4R)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 134980056
(1S,2S,3S,4R)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 134980057
N-methylcyclohex-3-ene-1-carboxamide
CID 2780388
N,N-Dimethylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 20823594
N-methylbicyclo[2.2.1]hept-2-ene-2-carboxamide
CID 139030439
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

Frequently Asked Questions

What is the IUPAC name of N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 3438395) is N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide is CNC(=O)C1CC2C=CC1C2.
What is the InChIKey of N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is QDIURVLTYFGLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-10-9(11)8-5-6-2-3-7(8)4-6/h2-3,6-8H,4-5H2,1H3,(H,10,11).
What are the key properties of N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 151.21 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 3438395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).