N-(3-chloroprop-2-enyl)-N-prop-2-enylacetamide

C8H12ClNO — CID 88729564

IUPACN-(3-chloroprop-2-enyl)-N-prop-2-enylacetamide
SMILESC=CCN(CC=CCl)C(C)=O
InChIInChI=1S/C8H12ClNO/c1-3-6-10(8(2)11)7-4-5-9/h3-5H,1,6-7H2,2H3
InChIKeyGENXMCCZFVWYML-UHFFFAOYSA-N
MW173.64 g/mol
LogP1.77
Rot. Bonds4

About N-(3-chloroprop-2-enyl)-N-prop-2-enylacetamide

N-(3-chloroprop-2-enyl)-N-prop-2-enylacetamide (PubChem CID 88729564) has the molecular formula C8H12ClNO and a molecular weight of 173.64 g/mol. Its IUPAC name is N-(3-chloroprop-2-enyl)-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-(3-chloroprop-2-enyl)-N-prop-2-enylacetamide
PubChem CID88729564
Molecular FormulaC8H12ClNO
Molecular Weight173.64 g/mol
Exact Mass173.06
IUPAC NameN-(3-chloroprop-2-enyl)-N-prop-2-enylacetamide
SMILESC=CCN(CC=CCl)C(C)=O
InChIInChI=1S/C8H12ClNO/c1-3-6-10(8(2)11)7-4-5-9/h3-5H,1,6-7H2,2H3
InChIKeyGENXMCCZFVWYML-UHFFFAOYSA-N
XLogP1.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.64
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-oxoethyl)-N-prop-2-enylacetamide
CID 19738524
N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 84572947
(E)-3-chloro-N-methyl-N-prop-2-enylprop-2-en-1-amine
CID 131234785
2-methyl-N-[(E)-4-[2-oxopropanoyl(prop-2-enyl)amino]but-2-enyl]-N-prop-2-enylprop-2-enamide
CID 155454680
N,3-dichloro-N-prop-2-enylprop-2-en-1-amine;silane
CID 173211748
3-chloro-N-ethyl-N-prop-2-enylprop-2-en-1-amine
CID 174389413
(Z)-3-[bis(prop-2-enyl)amino]but-2-enoic acid
CID 21432845
2-[acetyl(prop-2-enyl)amino]-N-propan-2-ylacetamide
CID 113158494
N-(2-methylnona-2,6-dienyl)-N-prop-2-enylacetamide
CID 76599914
2,2,2-trichloro-N,N-bis(prop-2-enyl)acetamide
CID 736559
3-prop-1-en-2-yl-1,1-bis(prop-2-enyl)urea
CID 108910247
2,2,2-tribromo-N,N-bis(3-chloroprop-2-enyl)acetamide
CID 54480638

Frequently Asked Questions

What is the IUPAC name of N-(3-chloroprop-2-enyl)-N-prop-2-enylacetamide?
The IUPAC name of N-(3-chloroprop-2-enyl)-N-prop-2-enylacetamide (CID 88729564) is N-(3-chloroprop-2-enyl)-N-prop-2-enylacetamide.
What is the SMILES notation for N-(3-chloroprop-2-enyl)-N-prop-2-enylacetamide?
The canonical SMILES for N-(3-chloroprop-2-enyl)-N-prop-2-enylacetamide is C=CCN(CC=CCl)C(C)=O.
What is the InChIKey of N-(3-chloroprop-2-enyl)-N-prop-2-enylacetamide?
The InChIKey is GENXMCCZFVWYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO/c1-3-6-10(8(2)11)7-4-5-9/h3-5H,1,6-7H2,2H3.
What are the key properties of N-(3-chloroprop-2-enyl)-N-prop-2-enylacetamide?
N-(3-chloroprop-2-enyl)-N-prop-2-enylacetamide has a molecular weight of 173.64 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloroprop-2-enyl)-N-prop-2-enylacetamide is sourced from PubChem (CID 88729564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).