N-prop-2-enylbicyclo[2.2.1]hept-5-ene-2-carboxamide

C11H15NO — CID 54017402

IUPACN-prop-2-enylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESC=CCNC(=O)C1CC2C=CC1C2
InChIInChI=1S/C11H15NO/c1-2-5-12-11(13)10-7-8-3-4-9(10)6-8/h2-4,8-10H,1,5-7H2,(H,12,13)
InChIKeyKWNZPHPBTZIEDH-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.50
Rot. Bonds3

About N-prop-2-enylbicyclo[2.2.1]hept-5-ene-2-carboxamide

N-prop-2-enylbicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 54017402) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-prop-2-enylbicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-prop-2-enylbicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID54017402
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-prop-2-enylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESC=CCNC(=O)C1CC2C=CC1C2
InChIInChI=1S/C11H15NO/c1-2-5-12-11(13)10-7-8-3-4-9(10)6-8/h2-4,8-10H,1,5-7H2,(H,12,13)
InChIKeyKWNZPHPBTZIEDH-UHFFFAOYSA-N
XLogP1.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.50
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

2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)acetic acid
CID 24691859
(1R,2S,3R,4R)-2-N,3-N-bis(prop-2-enyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 98532681
N-(2-hydroxy-2-methylpropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 65110649
N,N-bis(prop-2-enyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 15204421
2-[[2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)acetyl]amino]acetic acid
CID 43465555
N-(6-oxohexyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 145444587
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 106244731
N-(2-methoxy-2-methylpropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 71987214
N-hex-5-ynylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 103758684
N-[[4-(aminomethyl)phenyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 81089916
N-[(4-aminophenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 116649982
methyl 3-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-2-hydroxypropanoate
CID 103491118

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-prop-2-enylbicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 54017402) is N-prop-2-enylbicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-prop-2-enylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-prop-2-enylbicyclo[2.2.1]hept-5-ene-2-carboxamide is C=CCNC(=O)C1CC2C=CC1C2.
What is the InChIKey of N-prop-2-enylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is KWNZPHPBTZIEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-5-12-11(13)10-7-8-3-4-9(10)6-8/h2-4,8-10H,1,5-7H2,(H,12,13).
What are the key properties of N-prop-2-enylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-prop-2-enylbicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 177.25 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylbicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 54017402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).