N-chloro-2-methylhex-2-enamide

C7H12ClNO — CID 140536869

IUPACN-chloro-2-methylhex-2-enamide
SMILESCCCC=C(C)C(=O)NCl
InChIInChI=1S/C7H12ClNO/c1-3-4-5-6(2)7(10)9-8/h5H,3-4H2,1-2H3,(H,9,10)
InChIKeyWHCDTOQIPHJJHL-UHFFFAOYSA-N
MW161.63 g/mol
LogP2.00
Rot. Bonds3

About N-chloro-2-methylhex-2-enamide

N-chloro-2-methylhex-2-enamide (PubChem CID 140536869) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is N-chloro-2-methylhex-2-enamide.

Molecular Properties

Compound NameN-chloro-2-methylhex-2-enamide
PubChem CID140536869
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC NameN-chloro-2-methylhex-2-enamide
SMILESCCCC=C(C)C(=O)NCl
InChIInChI=1S/C7H12ClNO/c1-3-4-5-6(2)7(10)9-8/h5H,3-4H2,1-2H3,(H,9,10)
InChIKeyWHCDTOQIPHJJHL-UHFFFAOYSA-N
XLogP2.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.63
LogP ≤ 52.00
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-methoxy-2-methylhex-2-enamide
CID 159177287
methyl (E)-2-methylhex-2-enoate
CID 5364816
bis(2-methylhex-2-enoyloxy)alumanyl 2-methylhex-2-enoate
CID 139616676
2-methylhex-2-enoic acid;tetrahydrofluoride
CID 174467468
2-methylhex-2-enamide;hydrochloride
CID 141109029
1-oxopropan-2-yl 2-methylhex-2-enoate
CID 175307016
sulfo (E)-2-methylhex-2-enoate
CID 87119390
carbamoyl 2-methylhex-2-eneperoxoate
CID 173307552
N,2-dimethylundec-2-enamide
CID 4562078
methyl (Z)-2-chlorohex-2-enoate
CID 12547214
2-methylhex-2-enamide;propan-1-amine
CID 174435970
bis(N,N-dimethylmethanamine);2-methylhex-2-enoic acid;hydrochloride
CID 173034398

Frequently Asked Questions

What is the IUPAC name of N-chloro-2-methylhex-2-enamide?
The IUPAC name of N-chloro-2-methylhex-2-enamide (CID 140536869) is N-chloro-2-methylhex-2-enamide.
What is the SMILES notation for N-chloro-2-methylhex-2-enamide?
The canonical SMILES for N-chloro-2-methylhex-2-enamide is CCCC=C(C)C(=O)NCl.
What is the InChIKey of N-chloro-2-methylhex-2-enamide?
The InChIKey is WHCDTOQIPHJJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO/c1-3-4-5-6(2)7(10)9-8/h5H,3-4H2,1-2H3,(H,9,10).
What are the key properties of N-chloro-2-methylhex-2-enamide?
N-chloro-2-methylhex-2-enamide has a molecular weight of 161.63 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-2-methylhex-2-enamide is sourced from PubChem (CID 140536869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).