N-(methylideneamino)-N-propylprop-2-enamide

C7H12N2O — CID 145450395

IUPACN-(methylideneamino)-N-propylprop-2-enamide
SMILESC=CC(=O)N(CCC)N=C
InChIInChI=1S/C7H12N2O/c1-4-6-9(8-3)7(10)5-2/h5H,2-4,6H2,1H3
InChIKeyBVKBHOPXQPNODK-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.03
Rot. Bonds4

About N-(methylideneamino)-N-propylprop-2-enamide

N-(methylideneamino)-N-propylprop-2-enamide (PubChem CID 145450395) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is N-(methylideneamino)-N-propylprop-2-enamide.

Molecular Properties

Compound NameN-(methylideneamino)-N-propylprop-2-enamide
PubChem CID145450395
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameN-(methylideneamino)-N-propylprop-2-enamide
SMILESC=CC(=O)N(CCC)N=C
InChIInChI=1S/C7H12N2O/c1-4-6-9(8-3)7(10)5-2/h5H,2-4,6H2,1H3
InChIKeyBVKBHOPXQPNODK-UHFFFAOYSA-N
XLogP1.03
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-propan-2-yl-N-propylprop-2-enamide
CID 43616586
N,N',N'-tripropylprop-2-enehydrazide
CID 87503910
N-prop-2-enoyl-N-propylpropanamide
CID 143653418
ethane;N-prop-2-enyl-N-propylprop-2-enamide
CID 143794226
N'-ethyl-N-propylprop-2-enehydrazide
CID 87504958
N-(3-aminopropyl)-N-propylprop-2-enamide
CID 150203035
N-butyl-N-(4-oxobutyl)prop-2-enamide
CID 90459536
N-[2-[di(prop-2-enoyl)amino]ethyl]-N-prop-2-enoylprop-2-enamide
CID 90960823
1-ethenyl-3-ethylidene-1-propylurea
CID 91114731
N-ethylsulfonyl-N-methylprop-2-enamide
CID 148776379
N,N-dimethylpropan-1-amine;bis(prop-2-enamide)
CID 158610265
N-ethyl-N-hydroxyprop-2-enamide
CID 19022461

Frequently Asked Questions

What is the IUPAC name of N-(methylideneamino)-N-propylprop-2-enamide?
The IUPAC name of N-(methylideneamino)-N-propylprop-2-enamide (CID 145450395) is N-(methylideneamino)-N-propylprop-2-enamide.
What is the SMILES notation for N-(methylideneamino)-N-propylprop-2-enamide?
The canonical SMILES for N-(methylideneamino)-N-propylprop-2-enamide is C=CC(=O)N(CCC)N=C.
What is the InChIKey of N-(methylideneamino)-N-propylprop-2-enamide?
The InChIKey is BVKBHOPXQPNODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-4-6-9(8-3)7(10)5-2/h5H,2-4,6H2,1H3.
What are the key properties of N-(methylideneamino)-N-propylprop-2-enamide?
N-(methylideneamino)-N-propylprop-2-enamide has a molecular weight of 140.19 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylideneamino)-N-propylprop-2-enamide is sourced from PubChem (CID 145450395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).