N-(3-cyclopropylprop-2-enyl)prop-2-enamide

C9H13NO — CID 126806780

IUPACN-(3-cyclopropylprop-2-enyl)prop-2-enamide
SMILESC=CC(=O)NCC=CC1CC1
InChIInChI=1S/C9H13NO/c1-2-9(11)10-7-3-4-8-5-6-8/h2-4,8H,1,5-7H2,(H,10,11)
InChIKeySHLFKZZWLZFZQZ-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.25
Rot. Bonds4

About N-(3-cyclopropylprop-2-enyl)prop-2-enamide

N-(3-cyclopropylprop-2-enyl)prop-2-enamide (PubChem CID 126806780) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N-(3-cyclopropylprop-2-enyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-cyclopropylprop-2-enyl)prop-2-enamide
PubChem CID126806780
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-(3-cyclopropylprop-2-enyl)prop-2-enamide
SMILESC=CC(=O)NCC=CC1CC1
InChIInChI=1S/C9H13NO/c1-2-9(11)10-7-3-4-8-5-6-8/h2-4,8H,1,5-7H2,(H,10,11)
InChIKeySHLFKZZWLZFZQZ-UHFFFAOYSA-N
XLogP1.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-pent-2-enyl]prop-2-enamide
CID 131241342
ethane;N-prop-2-enylprop-2-enamide
CID 142535548
ethenol;N-prop-2-enylprop-2-enamide
CID 88846304
N-cyclohexylprop-2-enamide;N-prop-2-enylprop-2-enamide
CID 174429231
[4-[(E)-3-chloroprop-1-enyl]cyclohexyl]methylcarbamic acid
CID 141050171
CID 173161904
CID 173161904
N-[(4-hydroxycyclohexyl)methyl]prop-2-enamide
CID 106124120
N-[(3,3-difluorocyclobutyl)methyl]prop-2-enamide
CID 127004862
ethene;N-(hydroxymethyl)prop-2-enamide
CID 88605914
N-(sulfanylmethyl)prop-2-enamide
CID 21197466
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]prop-2-enamide
CID 166414598

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylprop-2-enyl)prop-2-enamide?
The IUPAC name of N-(3-cyclopropylprop-2-enyl)prop-2-enamide (CID 126806780) is N-(3-cyclopropylprop-2-enyl)prop-2-enamide.
What is the SMILES notation for N-(3-cyclopropylprop-2-enyl)prop-2-enamide?
The canonical SMILES for N-(3-cyclopropylprop-2-enyl)prop-2-enamide is C=CC(=O)NCC=CC1CC1.
What is the InChIKey of N-(3-cyclopropylprop-2-enyl)prop-2-enamide?
The InChIKey is SHLFKZZWLZFZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-9(11)10-7-3-4-8-5-6-8/h2-4,8H,1,5-7H2,(H,10,11).
What are the key properties of N-(3-cyclopropylprop-2-enyl)prop-2-enamide?
N-(3-cyclopropylprop-2-enyl)prop-2-enamide has a molecular weight of 151.21 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylprop-2-enyl)prop-2-enamide is sourced from PubChem (CID 126806780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).