N-chloro-3-(2-methylpropyl)pyrrolidine-1-carboxamide

C9H17ClN2O — CID 168862236

IUPACN-chloro-3-(2-methylpropyl)pyrrolidine-1-carboxamide
SMILESCC(C)CC1CCN(C(=O)NCl)C1
InChIInChI=1S/C9H17ClN2O/c1-7(2)5-8-3-4-12(6-8)9(13)11-10/h7-8H,3-6H2,1-2H3,(H,11,13)
InChIKeyQHLYJZPCWRFLHX-UHFFFAOYSA-N
MW204.70 g/mol
LogP2.22
Rot. Bonds2

About N-chloro-3-(2-methylpropyl)pyrrolidine-1-carboxamide

N-chloro-3-(2-methylpropyl)pyrrolidine-1-carboxamide (PubChem CID 168862236) has the molecular formula C9H17ClN2O and a molecular weight of 204.70 g/mol. Its IUPAC name is N-chloro-3-(2-methylpropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-chloro-3-(2-methylpropyl)pyrrolidine-1-carboxamide
PubChem CID168862236
Molecular FormulaC9H17ClN2O
Molecular Weight204.70 g/mol
Exact Mass204.10
IUPAC NameN-chloro-3-(2-methylpropyl)pyrrolidine-1-carboxamide
SMILESCC(C)CC1CCN(C(=O)NCl)C1
InChIInChI=1S/C9H17ClN2O/c1-7(2)5-8-3-4-12(6-8)9(13)11-10/h7-8H,3-6H2,1-2H3,(H,11,13)
InChIKeyQHLYJZPCWRFLHX-UHFFFAOYSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-chloro-3-(2-methylpropyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-chloro-3-(2-methylpropyl)pyrrolidine-1-carboxamide (CID 168862236) is N-chloro-3-(2-methylpropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-chloro-3-(2-methylpropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-chloro-3-(2-methylpropyl)pyrrolidine-1-carboxamide is CC(C)CC1CCN(C(=O)NCl)C1.
What is the InChIKey of N-chloro-3-(2-methylpropyl)pyrrolidine-1-carboxamide?
The InChIKey is QHLYJZPCWRFLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClN2O/c1-7(2)5-8-3-4-12(6-8)9(13)11-10/h7-8H,3-6H2,1-2H3,(H,11,13).
What are the key properties of N-chloro-3-(2-methylpropyl)pyrrolidine-1-carboxamide?
N-chloro-3-(2-methylpropyl)pyrrolidine-1-carboxamide has a molecular weight of 204.70 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-3-(2-methylpropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 168862236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).