1-(2-chloropropyl)pyrrolidine

C7H14ClN — CID 3020097

IUPAC1-(2-chloropropyl)pyrrolidine
SMILESCC(Cl)CN1CCCC1
InChIInChI=1S/C7H14ClN/c1-7(8)6-9-4-2-3-5-9/h7H,2-6H2,1H3
InChIKeyNBUUGVTVAZWZRT-UHFFFAOYSA-N
MW147.65 g/mol
LogP1.71
Rot. Bonds2

About 1-(2-chloropropyl)pyrrolidine

1-(2-chloropropyl)pyrrolidine (PubChem CID 3020097) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is 1-(2-chloropropyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-chloropropyl)pyrrolidine
PubChem CID3020097
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC Name1-(2-chloropropyl)pyrrolidine
SMILESCC(Cl)CN1CCCC1
InChIInChI=1S/C7H14ClN/c1-7(8)6-9-4-2-3-5-9/h7H,2-6H2,1H3
InChIKeyNBUUGVTVAZWZRT-UHFFFAOYSA-N
XLogP1.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.65
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine
CID 159983719
azane;1-(2-methylpropyl)pyrrolidine
CID 122583370
1-(azacyclododec-1-yl)propan-2-ol
CID 58868254
1-[1-(azacyclotetradec-1-yl)propan-2-yl]-azacyclotetradecane
CID 69225763
(2S)-N-phosphanyl-1-pyrrolidin-1-ylpropan-2-amine
CID 143859597
1-(2-methoxy-3-methylbutyl)piperidine
CID 171774550
(2S)-2-methyl-3-pyrrolidin-1-ylpropanoic acid
CID 51704154
1-(3-bromo-2-methylpropyl)piperidine;hydrobromide
CID 139026359
(2S)-3-methyl-N-propan-2-yl-1-pyrrolidin-1-ylbutan-2-amine
CID 54557324
1,3-dipyrrolidin-1-ylpropan-2-ol
CID 57126359
1-(2-methyl-3-piperidin-1-ylpropyl)cyclopropan-1-amine
CID 115020867
4-methyl-5-piperidin-1-ylpentanal
CID 142529558

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloropropyl)pyrrolidine?
The IUPAC name of 1-(2-chloropropyl)pyrrolidine (CID 3020097) is 1-(2-chloropropyl)pyrrolidine.
What is the SMILES notation for 1-(2-chloropropyl)pyrrolidine?
The canonical SMILES for 1-(2-chloropropyl)pyrrolidine is CC(Cl)CN1CCCC1.
What is the InChIKey of 1-(2-chloropropyl)pyrrolidine?
The InChIKey is NBUUGVTVAZWZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClN/c1-7(8)6-9-4-2-3-5-9/h7H,2-6H2,1H3.
What are the key properties of 1-(2-chloropropyl)pyrrolidine?
1-(2-chloropropyl)pyrrolidine has a molecular weight of 147.65 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloropropyl)pyrrolidine is sourced from PubChem (CID 3020097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).