5-chloropentyl pyrrolidine-1-carboxylate

C10H18ClNO2 — CID 103970759

IUPAC5-chloropentyl pyrrolidine-1-carboxylate
SMILESO=C(OCCCCCCl)N1CCCC1
InChIInChI=1S/C10H18ClNO2/c11-6-2-1-5-9-14-10(13)12-7-3-4-8-12/h1-9H2
InChIKeyBXQHCLUZWIJFAP-UHFFFAOYSA-N
MW219.71 g/mol
LogP2.63
Rot. Bonds5

About 5-chloropentyl pyrrolidine-1-carboxylate

5-chloropentyl pyrrolidine-1-carboxylate (PubChem CID 103970759) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is 5-chloropentyl pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name5-chloropentyl pyrrolidine-1-carboxylate
PubChem CID103970759
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Name5-chloropentyl pyrrolidine-1-carboxylate
SMILESO=C(OCCCCCCl)N1CCCC1
InChIInChI=1S/C10H18ClNO2/c11-6-2-1-5-9-14-10(13)12-7-3-4-8-12/h1-9H2
InChIKeyBXQHCLUZWIJFAP-UHFFFAOYSA-N
XLogP2.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloropentyl azepane-1-carboxylate
CID 103970757
3-chloropropyl pyrrolidine-1-carboxylate
CID 103970586
5-bromopentyl piperidine-1-carboxylate
CID 103970657
4-methoxybutyl pyrrolidine-1-carboxylate
CID 172841954
3-hydroxypropyl pyrrolidine-1-carboxylate
CID 118095652
2-(2-chloroethoxy)ethyl azepane-1-carboxylate
CID 103970627
2-aminoethyl piperidine-1-carboxylate
CID 58684414
propyl azepane-1-carboxylate
CID 91585333
butyl aziridine-1-carboxylate
CID 12641
2-cyclopropylethyl piperidine-1-carboxylate
CID 142778075
6-chlorohexyl 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperazine-1-carboxylate
CID 6734023
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940

Frequently Asked Questions

What is the IUPAC name of 5-chloropentyl pyrrolidine-1-carboxylate?
The IUPAC name of 5-chloropentyl pyrrolidine-1-carboxylate (CID 103970759) is 5-chloropentyl pyrrolidine-1-carboxylate.
What is the SMILES notation for 5-chloropentyl pyrrolidine-1-carboxylate?
The canonical SMILES for 5-chloropentyl pyrrolidine-1-carboxylate is O=C(OCCCCCCl)N1CCCC1.
What is the InChIKey of 5-chloropentyl pyrrolidine-1-carboxylate?
The InChIKey is BXQHCLUZWIJFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO2/c11-6-2-1-5-9-14-10(13)12-7-3-4-8-12/h1-9H2.
What are the key properties of 5-chloropentyl pyrrolidine-1-carboxylate?
5-chloropentyl pyrrolidine-1-carboxylate has a molecular weight of 219.71 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloropentyl pyrrolidine-1-carboxylate is sourced from PubChem (CID 103970759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).