N-butyl-3,3-dicyclopropylprop-2-enamide

C13H21NO — CID 71890780

IUPACN-butyl-3,3-dicyclopropylprop-2-enamide
SMILESCCCCNC(=O)C=C(C1CC1)C1CC1
InChIInChI=1S/C13H21NO/c1-2-3-8-14-13(15)9-12(10-4-5-10)11-6-7-11/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyPCFXDOQJYPAUNK-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.65
Rot. Bonds6

About N-butyl-3,3-dicyclopropylprop-2-enamide

N-butyl-3,3-dicyclopropylprop-2-enamide (PubChem CID 71890780) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-butyl-3,3-dicyclopropylprop-2-enamide.

Molecular Properties

Compound NameN-butyl-3,3-dicyclopropylprop-2-enamide
PubChem CID71890780
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-butyl-3,3-dicyclopropylprop-2-enamide
SMILESCCCCNC(=O)C=C(C1CC1)C1CC1
InChIInChI=1S/C13H21NO/c1-2-3-8-14-13(15)9-12(10-4-5-10)11-6-7-11/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyPCFXDOQJYPAUNK-UHFFFAOYSA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.65
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-hexyl-3-hydroxybut-2-enamide
CID 144650369
N-[4-(butylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 3067803
sodium (E)-4-(butylamino)-2-methyl-4-oxobut-2-enoate
CID 134104316
S-[3-(octylamino)-3-oxoprop-1-enyl] cyclopropanecarbothioate
CID 54388760
N-butylprop-2-enamide;hydrofluoride
CID 174533496
butylcarbamic acid
CID 3026651
butylcarbamic acid;zinc
CID 141049802
N-butylacetamide;propanoic acid
CID 87146552
N-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane
CID 169158864
N-butyl-1-formylpiperidine-4-carboxamide
CID 64992513
cyclohexane-1,4-dicarboxylic acid;octane
CID 174889638
N-[3-(cyclopropylamino)propyl]-3-methylbut-2-enamide
CID 43596541

Frequently Asked Questions

What is the IUPAC name of N-butyl-3,3-dicyclopropylprop-2-enamide?
The IUPAC name of N-butyl-3,3-dicyclopropylprop-2-enamide (CID 71890780) is N-butyl-3,3-dicyclopropylprop-2-enamide.
What is the SMILES notation for N-butyl-3,3-dicyclopropylprop-2-enamide?
The canonical SMILES for N-butyl-3,3-dicyclopropylprop-2-enamide is CCCCNC(=O)C=C(C1CC1)C1CC1.
What is the InChIKey of N-butyl-3,3-dicyclopropylprop-2-enamide?
The InChIKey is PCFXDOQJYPAUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-3-8-14-13(15)9-12(10-4-5-10)11-6-7-11/h9-11H,2-8H2,1H3,(H,14,15).
What are the key properties of N-butyl-3,3-dicyclopropylprop-2-enamide?
N-butyl-3,3-dicyclopropylprop-2-enamide has a molecular weight of 207.32 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,3-dicyclopropylprop-2-enamide is sourced from PubChem (CID 71890780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).