N-chlorohex-2-enamide

C6H10ClNO — CID 140536866

IUPACN-chlorohex-2-enamide
SMILESCCCC=CC(=O)NCl
InChIInChI=1S/C6H10ClNO/c1-2-3-4-5-6(9)8-7/h4-5H,2-3H2,1H3,(H,8,9)
InChIKeyUPCINUIVUOUEME-UHFFFAOYSA-N
MW147.60 g/mol
LogP1.61
Rot. Bonds3

About N-chlorohex-2-enamide

N-chlorohex-2-enamide (PubChem CID 140536866) has the molecular formula C6H10ClNO and a molecular weight of 147.60 g/mol. Its IUPAC name is N-chlorohex-2-enamide.

Molecular Properties

Compound NameN-chlorohex-2-enamide
PubChem CID140536866
Molecular FormulaC6H10ClNO
Molecular Weight147.60 g/mol
Exact Mass147.05
IUPAC NameN-chlorohex-2-enamide
SMILESCCCC=CC(=O)NCl
InChIInChI=1S/C6H10ClNO/c1-2-3-4-5-6(9)8-7/h4-5H,2-3H2,1H3,(H,8,9)
InChIKeyUPCINUIVUOUEME-UHFFFAOYSA-N
XLogP1.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.60
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-chlorohex-2-enamide;N,N-dimethylmethanamine
CID 172860490
CID 90268379
CID 90268379
N-propylhex-2-enamide
CID 88538823
(4E,7E)-undeca-4,7-dien-6-one
CID 23366329
(E)-hex-2-enoic acid
CID 5282707
docosakis(hex-2-enoic acid);phosphane
CID 174896095
S-ethyl (E)-hex-2-enethioate
CID 11400929
(E)-hex-2-enamide;hydrochloride
CID 141291310
N-(2-methylpropyl)dodeca-2,8-dienamide
CID 78385027
(E)-N-(3,4-dichlorophenyl)hex-2-enamide
CID 134122925
(E)-1-fluorohept-3-en-2-one
CID 71502223
(Z)-2,2-dimethyloct-4-en-3-one
CID 131248601

Frequently Asked Questions

What is the IUPAC name of N-chlorohex-2-enamide?
The IUPAC name of N-chlorohex-2-enamide (CID 140536866) is N-chlorohex-2-enamide.
What is the SMILES notation for N-chlorohex-2-enamide?
The canonical SMILES for N-chlorohex-2-enamide is CCCC=CC(=O)NCl.
What is the InChIKey of N-chlorohex-2-enamide?
The InChIKey is UPCINUIVUOUEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO/c1-2-3-4-5-6(9)8-7/h4-5H,2-3H2,1H3,(H,8,9).
What are the key properties of N-chlorohex-2-enamide?
N-chlorohex-2-enamide has a molecular weight of 147.60 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chlorohex-2-enamide is sourced from PubChem (CID 140536866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).