N-propan-2-ylbicyclo[2.2.1]hept-2-ene-2-carboxamide

C11H17NO — CID 139030419

IUPACN-propan-2-ylbicyclo[2.2.1]hept-2-ene-2-carboxamide
SMILESCC(C)NC(=O)C1=CC2CCC1C2
InChIInChI=1S/C11H17NO/c1-7(2)12-11(13)10-6-8-3-4-9(10)5-8/h6-9H,3-5H2,1-2H3,(H,12,13)
InChIKeyBAESDJIYNSRMQJ-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.87
Rot. Bonds2

About N-propan-2-ylbicyclo[2.2.1]hept-2-ene-2-carboxamide

N-propan-2-ylbicyclo[2.2.1]hept-2-ene-2-carboxamide (PubChem CID 139030419) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-propan-2-ylbicyclo[2.2.1]hept-2-ene-2-carboxamide.

Molecular Properties

Compound NameN-propan-2-ylbicyclo[2.2.1]hept-2-ene-2-carboxamide
PubChem CID139030419
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-propan-2-ylbicyclo[2.2.1]hept-2-ene-2-carboxamide
SMILESCC(C)NC(=O)C1=CC2CCC1C2
InChIInChI=1S/C11H17NO/c1-7(2)12-11(13)10-6-8-3-4-9(10)5-8/h6-9H,3-5H2,1-2H3,(H,12,13)
InChIKeyBAESDJIYNSRMQJ-UHFFFAOYSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methylbicyclo[2.2.1]hept-2-ene-2-carboxamide
CID 139030439
N-[(2S)-1-fluoro-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
CID 123678126
N-[1-[2-fluoro-3-(2-methylpropanoyl)cyclopent-2-en-1-yl]propan-2-yl]cyclohexene-1-carboxamide
CID 166882235
N-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 275568
N-propan-2-ylcyclohexene-1-carboxamide
CID 21726912
(3S,7aR)-3-methyl-2,3,5,6,7,7a-hexahydrocyclopenta[c]pyridin-1-one
CID 11679849
(3R)-N-cyclohexyl-3,7-dimethyl-2-methylideneoct-6-enamide
CID 102470877
N,N-diethylbicyclo[2.2.1]hept-2-ene-2-carboxamide
CID 139030414
N,1-dimethylbicyclo[2.2.1]hept-2-ene-2-carboxamide
CID 139030440
N-[(1R,2S)-2-fluorocyclopentyl]cyclohexene-1-carboxamide
CID 128540283
3-cyclopentyl-N-[(2E)-3,7-dimethylocta-2,6-dienyl]propanamide
CID 132459359
6-hexyl-N-methylcyclohexene-1-carboxamide
CID 12587289

Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylbicyclo[2.2.1]hept-2-ene-2-carboxamide?
The IUPAC name of N-propan-2-ylbicyclo[2.2.1]hept-2-ene-2-carboxamide (CID 139030419) is N-propan-2-ylbicyclo[2.2.1]hept-2-ene-2-carboxamide.
What is the SMILES notation for N-propan-2-ylbicyclo[2.2.1]hept-2-ene-2-carboxamide?
The canonical SMILES for N-propan-2-ylbicyclo[2.2.1]hept-2-ene-2-carboxamide is CC(C)NC(=O)C1=CC2CCC1C2.
What is the InChIKey of N-propan-2-ylbicyclo[2.2.1]hept-2-ene-2-carboxamide?
The InChIKey is BAESDJIYNSRMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-7(2)12-11(13)10-6-8-3-4-9(10)5-8/h6-9H,3-5H2,1-2H3,(H,12,13).
What are the key properties of N-propan-2-ylbicyclo[2.2.1]hept-2-ene-2-carboxamide?
N-propan-2-ylbicyclo[2.2.1]hept-2-ene-2-carboxamide has a molecular weight of 179.26 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylbicyclo[2.2.1]hept-2-ene-2-carboxamide is sourced from PubChem (CID 139030419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).