3-formamido-3-methylpentanoyl chloride

C7H12ClNO2 — CID 90950159

IUPAC3-formamido-3-methylpentanoyl chloride
SMILESCCC(C)(CC(=O)Cl)NC=O
InChIInChI=1S/C7H12ClNO2/c1-3-7(2,9-5-10)4-6(8)11/h5H,3-4H2,1-2H3,(H,9,10)
InChIKeyUQXCDZHWUMZKOB-UHFFFAOYSA-N
MW177.63 g/mol
LogP1.06
Rot. Bonds5

About 3-formamido-3-methylpentanoyl chloride

3-formamido-3-methylpentanoyl chloride (PubChem CID 90950159) has the molecular formula C7H12ClNO2 and a molecular weight of 177.63 g/mol. Its IUPAC name is 3-formamido-3-methylpentanoyl chloride.

Molecular Properties

Compound Name3-formamido-3-methylpentanoyl chloride
PubChem CID90950159
Molecular FormulaC7H12ClNO2
Molecular Weight177.63 g/mol
Exact Mass177.06
IUPAC Name3-formamido-3-methylpentanoyl chloride
SMILESCCC(C)(CC(=O)Cl)NC=O
InChIInChI=1S/C7H12ClNO2/c1-3-7(2,9-5-10)4-6(8)11/h5H,3-4H2,1-2H3,(H,9,10)
InChIKeyUQXCDZHWUMZKOB-UHFFFAOYSA-N
XLogP1.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-methylethane-1,1,2-tricarbonyl chloride
CID 140524572
N-(4-methylheptan-4-yl)formamide
CID 54483706
N-(2-hydroxybutan-2-yl)formamide
CID 57325343
2-ethyl-2-formamidobutanoic acid
CID 63689307
3-chloro-3-methylbutanoyl chloride
CID 11344131
diethyl 2-(2-chloroprop-2-enyl)-2-formamidopropanedioate
CID 13448034
3-amino-3-methylpentanoyl chloride;hydrochloride
CID 18372009
2-methyl-3-(3-methylpentan-3-ylamino)prop-2-enoic acid
CID 90284740
2-formamido-2-methylpentanoic acid
CID 61145661
N-(1,1-dihydroxyethyl)formamide
CID 87394549
2,2-diformamidopropanoic acid
CID 87109916
3-methyl-3-(methylamino)pentanamide
CID 65236243

Frequently Asked Questions

What is the IUPAC name of 3-formamido-3-methylpentanoyl chloride?
The IUPAC name of 3-formamido-3-methylpentanoyl chloride (CID 90950159) is 3-formamido-3-methylpentanoyl chloride.
What is the SMILES notation for 3-formamido-3-methylpentanoyl chloride?
The canonical SMILES for 3-formamido-3-methylpentanoyl chloride is CCC(C)(CC(=O)Cl)NC=O.
What is the InChIKey of 3-formamido-3-methylpentanoyl chloride?
The InChIKey is UQXCDZHWUMZKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO2/c1-3-7(2,9-5-10)4-6(8)11/h5H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 3-formamido-3-methylpentanoyl chloride?
3-formamido-3-methylpentanoyl chloride has a molecular weight of 177.63 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formamido-3-methylpentanoyl chloride is sourced from PubChem (CID 90950159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).