N-(1-chloroprop-1-enyl)-N-propylcarbamoyl chloride

C7H11Cl2NO — CID 154207225

IUPACN-(1-chloroprop-1-enyl)-N-propylcarbamoyl chloride
SMILESCC=C(Cl)N(CCC)C(=O)Cl
InChIInChI=1S/C7H11Cl2NO/c1-3-5-10(7(9)11)6(8)4-2/h4H,3,5H2,1-2H3
InChIKeyDJXPWKQRQQSZTP-UHFFFAOYSA-N
MW196.08 g/mol
LogP3.16
Rot. Bonds3

About N-(1-chloroprop-1-enyl)-N-propylcarbamoyl chloride

N-(1-chloroprop-1-enyl)-N-propylcarbamoyl chloride (PubChem CID 154207225) has the molecular formula C7H11Cl2NO and a molecular weight of 196.08 g/mol. Its IUPAC name is N-(1-chloroprop-1-enyl)-N-propylcarbamoyl chloride.

Molecular Properties

Compound NameN-(1-chloroprop-1-enyl)-N-propylcarbamoyl chloride
PubChem CID154207225
Molecular FormulaC7H11Cl2NO
Molecular Weight196.08 g/mol
Exact Mass195.02
IUPAC NameN-(1-chloroprop-1-enyl)-N-propylcarbamoyl chloride
SMILESCC=C(Cl)N(CCC)C(=O)Cl
InChIInChI=1S/C7H11Cl2NO/c1-3-5-10(7(9)11)6(8)4-2/h4H,3,5H2,1-2H3
InChIKeyDJXPWKQRQQSZTP-UHFFFAOYSA-N
XLogP3.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.08
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

sulfanylmethyl N-carbonochloridoyl-N-propylcarbamate
CID 88834334
(1Z)-N-[carbonochloridoyl(propyl)carbamoyl]-2,3,3-trichloroprop-2-enimidoyl chloride
CID 11099888
2-(dipropylamino)-2-oxoacetyl chloride
CID 131861907
(Z)-2-chloro-3-(dipropylamino)prop-2-enoic acid
CID 175065950
N,N-dibutylcarbamoyl chloride;hydrochloride
CID 141018315
N-prop-2-enoyl-N-propylpropanamide
CID 143653418
(E)-N,N-dipropylbut-2-enamide
CID 21329403
propanoyl(propyl)carbamothioic S-acid
CID 144693567
acetic acid;azane;N,N-dimethylpropan-1-amine
CID 89442730
N-hexyl-N-methylcarbamoyl chloride
CID 23509235
N-(2,2-dimethylpent-4-enyl)-N-propylcarbamoyl chloride
CID 10059217
(Z)-but-2-enedioic acid;bis(N,N-dipropylpropan-1-amine)
CID 173189051

Frequently Asked Questions

What is the IUPAC name of N-(1-chloroprop-1-enyl)-N-propylcarbamoyl chloride?
The IUPAC name of N-(1-chloroprop-1-enyl)-N-propylcarbamoyl chloride (CID 154207225) is N-(1-chloroprop-1-enyl)-N-propylcarbamoyl chloride.
What is the SMILES notation for N-(1-chloroprop-1-enyl)-N-propylcarbamoyl chloride?
The canonical SMILES for N-(1-chloroprop-1-enyl)-N-propylcarbamoyl chloride is CC=C(Cl)N(CCC)C(=O)Cl.
What is the InChIKey of N-(1-chloroprop-1-enyl)-N-propylcarbamoyl chloride?
The InChIKey is DJXPWKQRQQSZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Cl2NO/c1-3-5-10(7(9)11)6(8)4-2/h4H,3,5H2,1-2H3.
What are the key properties of N-(1-chloroprop-1-enyl)-N-propylcarbamoyl chloride?
N-(1-chloroprop-1-enyl)-N-propylcarbamoyl chloride has a molecular weight of 196.08 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloroprop-1-enyl)-N-propylcarbamoyl chloride is sourced from PubChem (CID 154207225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).