N-(6-oxohexyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

C14H21NO2 — CID 145444587

IUPACN-(6-oxohexyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=CCCCCCNC(=O)C1CC2C=CC1C2
InChIInChI=1S/C14H21NO2/c16-8-4-2-1-3-7-15-14(17)13-10-11-5-6-12(13)9-11/h5-6,8,11-13H,1-4,7,9-10H2,(H,15,17)
InChIKeyICPNFEQYDADDNO-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.07
Rot. Bonds7

About N-(6-oxohexyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-(6-oxohexyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 145444587) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(6-oxohexyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-(6-oxohexyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID145444587
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(6-oxohexyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=CCCCCCNC(=O)C1CC2C=CC1C2
InChIInChI=1S/C14H21NO2/c16-8-4-2-1-3-7-15-14(17)13-10-11-5-6-12(13)9-11/h5-6,8,11-13H,1-4,7,9-10H2,(H,15,17)
InChIKeyICPNFEQYDADDNO-UHFFFAOYSA-N
XLogP2.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)hexanoate
CID 43404648
N-hex-5-ynylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 103758684
2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)acetic acid
CID 24691859
ethyl 4-[[(1R,2S,4R)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]amino]butanoate
CID 95358495
N-prop-2-enylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 54017402
(1R,2S,4S)-N-[3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 124855758
(1R,2S,4S)-N-[3-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 124855759
CID 175824171
CID 175824171
2-[[2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)acetyl]amino]acetic acid
CID 43465555
N-(4-dimethylphosphanyl-4-methylphosphanylbutyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 167178973
N-(2-piperazin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 43600247
8-(2-bicyclo[2.2.1]hept-5-enyl)octanal
CID 59748238

Frequently Asked Questions

What is the IUPAC name of N-(6-oxohexyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-(6-oxohexyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 145444587) is N-(6-oxohexyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-(6-oxohexyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-(6-oxohexyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is O=CCCCCCNC(=O)C1CC2C=CC1C2.
What is the InChIKey of N-(6-oxohexyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is ICPNFEQYDADDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c16-8-4-2-1-3-7-15-14(17)13-10-11-5-6-12(13)9-11/h5-6,8,11-13H,1-4,7,9-10H2,(H,15,17).
What are the key properties of N-(6-oxohexyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-(6-oxohexyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxohexyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 145444587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).