N-(3-bicyclo[3.3.1]non-6-enyl)propanamide

C12H19NO — CID 12739445

IUPACN-(3-bicyclo[3.3.1]non-6-enyl)propanamide
SMILESCCC(=O)NC1CC2C=CCC(C2)C1
InChIInChI=1S/C12H19NO/c1-2-12(14)13-11-7-9-4-3-5-10(6-9)8-11/h3-4,9-11H,2,5-8H2,1H3,(H,13,14)
InChIKeyJWPKSEVRUVCJDZ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.26
Rot. Bonds2

About N-(3-bicyclo[3.3.1]non-6-enyl)propanamide

N-(3-bicyclo[3.3.1]non-6-enyl)propanamide (PubChem CID 12739445) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-(3-bicyclo[3.3.1]non-6-enyl)propanamide.

Molecular Properties

Compound NameN-(3-bicyclo[3.3.1]non-6-enyl)propanamide
PubChem CID12739445
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-(3-bicyclo[3.3.1]non-6-enyl)propanamide
SMILESCCC(=O)NC1CC2C=CCC(C2)C1
InChIInChI=1S/C12H19NO/c1-2-12(14)13-11-7-9-4-3-5-10(6-9)8-11/h3-4,9-11H,2,5-8H2,1H3,(H,13,14)
InChIKeyJWPKSEVRUVCJDZ-UHFFFAOYSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.26
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

N-[(1S,2S)-2-prop-2-enylcyclohexyl]acetamide
CID 134862425
N-cyclooctylcyclohex-3-ene-1-carboxamide
CID 45858536
N-(2-methylcyclohexyl)cyclohex-3-ene-1-carboxamide
CID 45858566
N-(4-methylcyclohexyl)cyclohex-3-ene-1-carboxamide
CID 45858610
N-(3-bicyclo[3.3.1]non-6-enyl)acetamide
CID 12444220
2-methyl-N-(6-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-2-yl)prop-2-enamide
CID 58205323
N-[(1S,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]acetamide
CID 60076513
N-[(1R,2R,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]acetamide
CID 60076516
N-(cyclohex-3-en-1-ylmethyl)propanamide
CID 61808049
N-octylcyclohex-3-enecarboxamide
CID 67395428
2-Cyclohept-3-en-1-yl-1,2,3,6-tetrahydroazepin-7-one
CID 67613354
N-(2-bicyclo[2.2.2]oct-5-enyl)acetamide
CID 67989984

Frequently Asked Questions

What is the IUPAC name of N-(3-bicyclo[3.3.1]non-6-enyl)propanamide?
The IUPAC name of N-(3-bicyclo[3.3.1]non-6-enyl)propanamide (CID 12739445) is N-(3-bicyclo[3.3.1]non-6-enyl)propanamide.
What is the SMILES notation for N-(3-bicyclo[3.3.1]non-6-enyl)propanamide?
The canonical SMILES for N-(3-bicyclo[3.3.1]non-6-enyl)propanamide is CCC(=O)NC1CC2C=CCC(C2)C1.
What is the InChIKey of N-(3-bicyclo[3.3.1]non-6-enyl)propanamide?
The InChIKey is JWPKSEVRUVCJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-12(14)13-11-7-9-4-3-5-10(6-9)8-11/h3-4,9-11H,2,5-8H2,1H3,(H,13,14).
What are the key properties of N-(3-bicyclo[3.3.1]non-6-enyl)propanamide?
N-(3-bicyclo[3.3.1]non-6-enyl)propanamide has a molecular weight of 193.29 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bicyclo[3.3.1]non-6-enyl)propanamide is sourced from PubChem (CID 12739445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).