5-chloro-2-methylidenepentanamide

C6H10ClNO — CID 87433992

IUPAC5-chloro-2-methylidenepentanamide
SMILESC=C(CCCCl)C(N)=O
InChIInChI=1S/C6H10ClNO/c1-5(6(8)9)3-2-4-7/h1-4H2,(H2,8,9)
InChIKeyFXGWNXRXLKGPIG-UHFFFAOYSA-N
MW147.60 g/mol
LogP1.05
Rot. Bonds4

About 5-chloro-2-methylidenepentanamide

5-chloro-2-methylidenepentanamide (PubChem CID 87433992) has the molecular formula C6H10ClNO and a molecular weight of 147.60 g/mol. Its IUPAC name is 5-chloro-2-methylidenepentanamide.

Molecular Properties

Compound Name5-chloro-2-methylidenepentanamide
PubChem CID87433992
Molecular FormulaC6H10ClNO
Molecular Weight147.60 g/mol
Exact Mass147.05
IUPAC Name5-chloro-2-methylidenepentanamide
SMILESC=C(CCCCl)C(N)=O
InChIInChI=1S/C6H10ClNO/c1-5(6(8)9)3-2-4-7/h1-4H2,(H2,8,9)
InChIKeyFXGWNXRXLKGPIG-UHFFFAOYSA-N
XLogP1.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.60
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,13-dimethylidenetetradecanediamide
CID 87303548
2,9-dimethylidenedecanediamide
CID 22052797
2-methylidenehexanediamide
CID 22482529
5-chloro-2-methylidenepentanoic acid
CID 10953677
5-chloro-2-methylidenepentanoyl chloride
CID 126970691
6-amino-2-methylidenehexanamide
CID 90258126
6-carbamoylhept-6-enoic acid
CID 172557406
2-methylidenetridecanamide
CID 22648504
2-methylidenepentadecanamide
CID 57359889
5-(dimethylamino)-2-methylidenepentanamide
CID 18359659
5-dimethylsilyl-2-methylidenepentanamide
CID 154502276
16-(dimethylamino)-2-methylidenehexadecanamide
CID 23169563

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methylidenepentanamide?
The IUPAC name of 5-chloro-2-methylidenepentanamide (CID 87433992) is 5-chloro-2-methylidenepentanamide.
What is the SMILES notation for 5-chloro-2-methylidenepentanamide?
The canonical SMILES for 5-chloro-2-methylidenepentanamide is C=C(CCCCl)C(N)=O.
What is the InChIKey of 5-chloro-2-methylidenepentanamide?
The InChIKey is FXGWNXRXLKGPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO/c1-5(6(8)9)3-2-4-7/h1-4H2,(H2,8,9).
What are the key properties of 5-chloro-2-methylidenepentanamide?
5-chloro-2-methylidenepentanamide has a molecular weight of 147.60 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methylidenepentanamide is sourced from PubChem (CID 87433992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).