3-methylpyrrolidine-1-carbonyl chloride

C6H10ClNO — CID 79880989

IUPAC3-methylpyrrolidine-1-carbonyl chloride
SMILESCC1CCN(C(=O)Cl)C1
InChIInChI=1S/C6H10ClNO/c1-5-2-3-8(4-5)6(7)9/h5H,2-4H2,1H3
InChIKeyRWPQKMJZJUTLNC-UHFFFAOYSA-N
MW147.60 g/mol
LogP1.69
Rot. Bonds

About 3-methylpyrrolidine-1-carbonyl chloride

3-methylpyrrolidine-1-carbonyl chloride (PubChem CID 79880989) has the molecular formula C6H10ClNO and a molecular weight of 147.60 g/mol. Its IUPAC name is 3-methylpyrrolidine-1-carbonyl chloride.

Molecular Properties

Compound Name3-methylpyrrolidine-1-carbonyl chloride
PubChem CID79880989
Molecular FormulaC6H10ClNO
Molecular Weight147.60 g/mol
Exact Mass147.05
IUPAC Name3-methylpyrrolidine-1-carbonyl chloride
SMILESCC1CCN(C(=O)Cl)C1
InChIInChI=1S/C6H10ClNO/c1-5-2-3-8(4-5)6(7)9/h5H,2-4H2,1H3
InChIKeyRWPQKMJZJUTLNC-UHFFFAOYSA-N
XLogP1.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.60
LogP ≤ 51.69
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

1-Pyrrolidinecarbonyl chloride
CID 70937
2,2-Dimethylpyrrolidine-1-carbonyl chloride
CID 79887171
N-methyl-N-(2-methylbutyl)carbamoyl chloride
CID 79886807
3-Ethylpyrrolidine-1-carbonyl chloride
CID 104498037
3-(Fluoromethyl)pyrrolidine-1-carbonyl chloride
CID 146075358
N-ethyl-N-(2-methylpropyl)carbamoyl chloride
CID 19080216
3-Methylpyrrolidine-1-carbaldehyde
CID 20774103
N,N-bis(3-methylbutyl)carbamoyl chloride
CID 51002771
(3S)-3-methylpyrrolidine-1-carbaldehyde
CID 57745727
(3R)-3-methylpyrrolidine-1-carbaldehyde
CID 88850963
(3S,4S)-3,4-dimethylpyrrolidine-1-carbonyl chloride
CID 91172683
Ethane;pyrrolidine-1-carbonyl chloride
CID 144229890

Frequently Asked Questions

What is the IUPAC name of 3-methylpyrrolidine-1-carbonyl chloride?
The IUPAC name of 3-methylpyrrolidine-1-carbonyl chloride (CID 79880989) is 3-methylpyrrolidine-1-carbonyl chloride.
What is the SMILES notation for 3-methylpyrrolidine-1-carbonyl chloride?
The canonical SMILES for 3-methylpyrrolidine-1-carbonyl chloride is CC1CCN(C(=O)Cl)C1.
What is the InChIKey of 3-methylpyrrolidine-1-carbonyl chloride?
The InChIKey is RWPQKMJZJUTLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO/c1-5-2-3-8(4-5)6(7)9/h5H,2-4H2,1H3.
What are the key properties of 3-methylpyrrolidine-1-carbonyl chloride?
3-methylpyrrolidine-1-carbonyl chloride has a molecular weight of 147.60 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpyrrolidine-1-carbonyl chloride is sourced from PubChem (CID 79880989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).