N-chloro-2-methylidenehexanamide

C7H12ClNO — CID 91615542

IUPACN-chloro-2-methylidenehexanamide
SMILESC=C(CCCC)C(=O)NCl
InChIInChI=1S/C7H12ClNO/c1-3-4-5-6(2)7(10)9-8/h2-5H2,1H3,(H,9,10)
InChIKeyYHRDTLHYMSLOBL-UHFFFAOYSA-N
MW161.63 g/mol
LogP2.00
Rot. Bonds4

About N-chloro-2-methylidenehexanamide

N-chloro-2-methylidenehexanamide (PubChem CID 91615542) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is N-chloro-2-methylidenehexanamide.

Molecular Properties

Compound NameN-chloro-2-methylidenehexanamide
PubChem CID91615542
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC NameN-chloro-2-methylidenehexanamide
SMILESC=C(CCCC)C(=O)NCl
InChIInChI=1S/C7H12ClNO/c1-3-4-5-6(2)7(10)9-8/h2-5H2,1H3,(H,9,10)
InChIKeyYHRDTLHYMSLOBL-UHFFFAOYSA-N
XLogP2.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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-ethyl-2-methylidenehexanamide
CID 140513535
4-(chlorocarbamoyl)pent-4-enyl-trimethylazanium
CID 90700152
N'-ethyl-2-methylidenehexanehydrazide
CID 87503884
N',N'-diethyl-2-methylidenehexanehydrazide
CID 150323112
2-methylidenehexanoic acid;zinc
CID 174824467
2-methylidenehexanoylazanide;terbium
CID 175783049
ethane;2-methylidenehexanoic acid
CID 162072915
methyl 3-(2-methylideneheptanoylamino)propanoate
CID 88797373
zinc bis(2-methylidenehexanoate)
CID 122669315
lead(2+);bis(2-methylidenehexanoate)
CID 88789371
3,4-dimethylideneoctan-2-one
CID 143941758
2-methylidenebutanoic acid;2-methylidenehexanoic acid
CID 87730844

Frequently Asked Questions

What is the IUPAC name of N-chloro-2-methylidenehexanamide?
The IUPAC name of N-chloro-2-methylidenehexanamide (CID 91615542) is N-chloro-2-methylidenehexanamide.
What is the SMILES notation for N-chloro-2-methylidenehexanamide?
The canonical SMILES for N-chloro-2-methylidenehexanamide is C=C(CCCC)C(=O)NCl.
What is the InChIKey of N-chloro-2-methylidenehexanamide?
The InChIKey is YHRDTLHYMSLOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO/c1-3-4-5-6(2)7(10)9-8/h2-5H2,1H3,(H,9,10).
What are the key properties of N-chloro-2-methylidenehexanamide?
N-chloro-2-methylidenehexanamide has a molecular weight of 161.63 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-2-methylidenehexanamide is sourced from PubChem (CID 91615542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).