N-(2-chloroethyl)-N-prop-2-enylformamide

C6H10ClNO — CID 54106306

IUPACN-(2-chloroethyl)-N-prop-2-enylformamide
SMILESC=CCN(C=O)CCCl
InChIInChI=1S/C6H10ClNO/c1-2-4-8(6-9)5-3-7/h2,6H,1,3-5H2
InChIKeyZUEGGRFQMPTUQV-UHFFFAOYSA-N
MW147.60 g/mol
LogP0.87
Rot. Bonds5

About N-(2-chloroethyl)-N-prop-2-enylformamide

N-(2-chloroethyl)-N-prop-2-enylformamide (PubChem CID 54106306) has the molecular formula C6H10ClNO and a molecular weight of 147.60 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-prop-2-enylformamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-prop-2-enylformamide
PubChem CID54106306
Molecular FormulaC6H10ClNO
Molecular Weight147.60 g/mol
Exact Mass147.05
IUPAC NameN-(2-chloroethyl)-N-prop-2-enylformamide
SMILESC=CCN(C=O)CCCl
InChIInChI=1S/C6H10ClNO/c1-2-4-8(6-9)5-3-7/h2,6H,1,3-5H2
InChIKeyZUEGGRFQMPTUQV-UHFFFAOYSA-N
XLogP0.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.60
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroprop-2-enyl)-N-prop-2-enylformamide
CID 88774586
N-(2-chloroethyl)-N-(2-cyanoethyl)formamide
CID 19796568
N-(2-chloroethyl)-N-methylprop-2-en-1-amine;hydrochloride
CID 122164038
(2E,4E)-5-[bis(prop-2-enyl)amino]penta-2,4-dienal
CID 101477346
N-(2-chloroethyl)-N-(4-methylpentyl)formamide
CID 178028720
N-(2-chloroethyl)-N-prop-2-enylcyclobutanamine
CID 102861277
N-(2-chloroethyl)-N-prop-2-enylpropan-2-amine;hydrochloride
CID 57349420
N-amino-N-prop-2-enylformamide
CID 87139265
N-ethenyl-N-prop-2-enylformamide
CID 57465791
3-chloro-N-methyl-N-prop-2-enylpropan-1-amine
CID 94252089
3-[bis(prop-2-enyl)amino]-2,2-dichloropropanal
CID 167227882
N-(2-bromoethyl)-N-(chloromethyl)formamide
CID 118574673

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-prop-2-enylformamide?
The IUPAC name of N-(2-chloroethyl)-N-prop-2-enylformamide (CID 54106306) is N-(2-chloroethyl)-N-prop-2-enylformamide.
What is the SMILES notation for N-(2-chloroethyl)-N-prop-2-enylformamide?
The canonical SMILES for N-(2-chloroethyl)-N-prop-2-enylformamide is C=CCN(C=O)CCCl.
What is the InChIKey of N-(2-chloroethyl)-N-prop-2-enylformamide?
The InChIKey is ZUEGGRFQMPTUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO/c1-2-4-8(6-9)5-3-7/h2,6H,1,3-5H2.
What are the key properties of N-(2-chloroethyl)-N-prop-2-enylformamide?
N-(2-chloroethyl)-N-prop-2-enylformamide has a molecular weight of 147.60 g/mol, XLogP of 0.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-prop-2-enylformamide is sourced from PubChem (CID 54106306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).