N-cyclopentyl-N-propan-2-ylcarbamoyl chloride

C9H16ClNO — CID 19080197

IUPACN-cyclopentyl-N-propan-2-ylcarbamoyl chloride
SMILESCC(C)N(C(=O)Cl)C1CCCC1
InChIInChI=1S/C9H16ClNO/c1-7(2)11(9(10)12)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3
InChIKeyGWNFJNPQTPBLES-UHFFFAOYSA-N
MW189.69 g/mol
LogP3.00
Rot. Bonds2

About N-cyclopentyl-N-propan-2-ylcarbamoyl chloride

N-cyclopentyl-N-propan-2-ylcarbamoyl chloride (PubChem CID 19080197) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is N-cyclopentyl-N-propan-2-ylcarbamoyl chloride.

Molecular Properties

Compound NameN-cyclopentyl-N-propan-2-ylcarbamoyl chloride
PubChem CID19080197
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC NameN-cyclopentyl-N-propan-2-ylcarbamoyl chloride
SMILESCC(C)N(C(=O)Cl)C1CCCC1
InChIInChI=1S/C9H16ClNO/c1-7(2)11(9(10)12)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3
InChIKeyGWNFJNPQTPBLES-UHFFFAOYSA-N
XLogP3.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

Di-sec-butylcarbamoyl chloride
CID 3015862
Formamide, N-cyclopentyl-N-propyl-(9CI)
CID 10773209
Cyclohexylethylcarbamoyl chloride
CID 11332952
N-cyclopentyl-N-methylcarbamoyl chloride
CID 19070632
N-Cyclopentyl-N-ethylacetamide
CID 558466
2,5-Dimethylpyrrolidine-1-carbonyl chloride
CID 13274614
(2R,5S)-2,5-Dimethylpyrrolidine-1-carbonyl chloride
CID 13274615
N-cyclopentyl-N-ethylcarbamoyl chloride
CID 15335411
N-cyclopentyl-N-propylcarbamoyl chloride
CID 15335412
Dihexylcarbamyl chloride
CID 15644922
N-cycloheptyl-N-ethylcarbamoyl chloride
CID 19030391
N-cyclopentyl-N-propan-2-ylacetamide
CID 19752004

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-propan-2-ylcarbamoyl chloride?
The IUPAC name of N-cyclopentyl-N-propan-2-ylcarbamoyl chloride (CID 19080197) is N-cyclopentyl-N-propan-2-ylcarbamoyl chloride.
What is the SMILES notation for N-cyclopentyl-N-propan-2-ylcarbamoyl chloride?
The canonical SMILES for N-cyclopentyl-N-propan-2-ylcarbamoyl chloride is CC(C)N(C(=O)Cl)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-propan-2-ylcarbamoyl chloride?
The InChIKey is GWNFJNPQTPBLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-7(2)11(9(10)12)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3.
What are the key properties of N-cyclopentyl-N-propan-2-ylcarbamoyl chloride?
N-cyclopentyl-N-propan-2-ylcarbamoyl chloride has a molecular weight of 189.69 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-propan-2-ylcarbamoyl chloride is sourced from PubChem (CID 19080197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).