(E)-N-cyclopropylnon-2-enamide

C12H21NO — CID 144516886

IUPAC(E)-N-cyclopropylnon-2-enamide
SMILESCCCCCC/C=C/C(=O)NC1CC1
InChIInChI=1S/C12H21NO/c1-2-3-4-5-6-7-8-12(14)13-11-9-10-11/h7-8,11H,2-6,9-10H2,1H3,(H,13,14)/b8-7+
InChIKeyXPIMGTKMXYSIOS-BQYQJAHWSA-N
MW195.31 g/mol
LogP2.79
Rot. Bonds7

About (E)-N-cyclopropylnon-2-enamide

(E)-N-cyclopropylnon-2-enamide (PubChem CID 144516886) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (E)-N-cyclopropylnon-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropylnon-2-enamide
PubChem CID144516886
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(E)-N-cyclopropylnon-2-enamide
SMILESCCCCCC/C=C/C(=O)NC1CC1
InChIInChI=1S/C12H21NO/c1-2-3-4-5-6-7-8-12(14)13-11-9-10-11/h7-8,11H,2-6,9-10H2,1H3,(H,13,14)/b8-7+
InChIKeyXPIMGTKMXYSIOS-BQYQJAHWSA-N
XLogP2.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(1S,3R)-3-[[(E)-dec-2-enoyl]amino]cyclopentyl]dec-2-enamide
CID 144516859
(E)-N-[(1R,3S)-3-methylcyclopentyl]nonadec-2-enamide;(E)-nonadec-2-enamide
CID 144516738
(E)-N-[(1R,2S)-2-[[(E)-octadec-2-enoyl]amino]cyclopropyl]octadec-2-enamide
CID 144516819
(E)-N-[(1R,2S)-2-[[(E)-heptadec-2-enoyl]amino]cyclopropyl]heptadec-2-enamide
CID 144516762
(E)-N-[(1R,3S)-3-methylcyclopentyl]oct-2-enamide;(E)-oct-2-enamide
CID 144516731
N-[2-(icos-2-enoylamino)ethyl]icos-2-enamide
CID 87333364
(5Z,8E,11E,14E)-N-cyclopropylicosa-5,8,11,14-tetraenamide
CID 124933455
(5E,8E,11E,14E)-N-cyclopropylicosa-5,8,11,14-tetraenamide
CID 6380021
(2Z,8Z)-N-[(3R)-2-oxooxolan-3-yl]tetradeca-2,8-dienamide
CID 162965156
(E)-N-butyldec-2-enamide
CID 160628271
(E)-N-cyclohexyloctadec-9-enamide
CID 10948482
2-[[(E)-hexadec-2-enoyl]amino]acetic acid
CID 139292150

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopropylnon-2-enamide?
The IUPAC name of (E)-N-cyclopropylnon-2-enamide (CID 144516886) is (E)-N-cyclopropylnon-2-enamide.
What is the SMILES notation for (E)-N-cyclopropylnon-2-enamide?
The canonical SMILES for (E)-N-cyclopropylnon-2-enamide is CCCCCC/C=C/C(=O)NC1CC1.
What is the InChIKey of (E)-N-cyclopropylnon-2-enamide?
The InChIKey is XPIMGTKMXYSIOS-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-3-4-5-6-7-8-12(14)13-11-9-10-11/h7-8,11H,2-6,9-10H2,1H3,(H,13,14)/b8-7+.
What are the key properties of (E)-N-cyclopropylnon-2-enamide?
(E)-N-cyclopropylnon-2-enamide has a molecular weight of 195.31 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropylnon-2-enamide is sourced from PubChem (CID 144516886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).