N-chlorohex-2-enamide;N,N-dimethylmethanamine

C9H19ClN2O — CID 172860490

IUPACN-chlorohex-2-enamide;N,N-dimethylmethanamine
SMILESCCCC=CC(=O)NCl.CN(C)C
InChIInChI=1S/C6H10ClNO.C3H9N/c1-2-3-4-5-6(9)8-7;1-4(2)3/h4-5H,2-3H2,1H3,(H,8,9);1-3H3
InChIKeyZGZGXPVHQBPICO-UHFFFAOYSA-N
MW206.72 g/mol
LogP1.79
Rot. Bonds3

About N-chlorohex-2-enamide;N,N-dimethylmethanamine

N-chlorohex-2-enamide;N,N-dimethylmethanamine (PubChem CID 172860490) has the molecular formula C9H19ClN2O and a molecular weight of 206.72 g/mol. Its IUPAC name is N-chlorohex-2-enamide;N,N-dimethylmethanamine.

Molecular Properties

Compound NameN-chlorohex-2-enamide;N,N-dimethylmethanamine
PubChem CID172860490
Molecular FormulaC9H19ClN2O
Molecular Weight206.72 g/mol
Exact Mass206.12
IUPAC NameN-chlorohex-2-enamide;N,N-dimethylmethanamine
SMILESCCCC=CC(=O)NCl.CN(C)C
InChIInChI=1S/C6H10ClNO.C3H9N/c1-2-3-4-5-6(9)8-7;1-4(2)3/h4-5H,2-3H2,1H3,(H,8,9);1-3H3
InChIKeyZGZGXPVHQBPICO-UHFFFAOYSA-N
XLogP1.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
CID 140536866
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-[2-(dimethylamino)ethyl]hept-2-enamide
CID 102117807
(E)-N-(3,4-dichlorophenyl)hex-2-enamide
CID 134122925
(E)-1-fluorohept-3-en-2-one
CID 71502223

Frequently Asked Questions

What is the IUPAC name of N-chlorohex-2-enamide;N,N-dimethylmethanamine?
The IUPAC name of N-chlorohex-2-enamide;N,N-dimethylmethanamine (CID 172860490) is N-chlorohex-2-enamide;N,N-dimethylmethanamine.
What is the SMILES notation for N-chlorohex-2-enamide;N,N-dimethylmethanamine?
The canonical SMILES for N-chlorohex-2-enamide;N,N-dimethylmethanamine is CCCC=CC(=O)NCl.CN(C)C.
What is the InChIKey of N-chlorohex-2-enamide;N,N-dimethylmethanamine?
The InChIKey is ZGZGXPVHQBPICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO.C3H9N/c1-2-3-4-5-6(9)8-7;1-4(2)3/h4-5H,2-3H2,1H3,(H,8,9);1-3H3.
What are the key properties of N-chlorohex-2-enamide;N,N-dimethylmethanamine?
N-chlorohex-2-enamide;N,N-dimethylmethanamine has a molecular weight of 206.72 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chlorohex-2-enamide;N,N-dimethylmethanamine is sourced from PubChem (CID 172860490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).