1-[1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]ethanol

C10H20ClNO — CID 112628064

IUPAC1-[1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]ethanol
SMILESCC(CCl)CN1CCC(C(C)O)C1
InChIInChI=1S/C10H20ClNO/c1-8(5-11)6-12-4-3-10(7-12)9(2)13/h8-10,13H,3-7H2,1-2H3
InChIKeyYRTLGFDOGNQBSY-UHFFFAOYSA-N
MW205.73 g/mol
LogP1.56
Rot. Bonds4

About 1-[1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]ethanol

1-[1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]ethanol (PubChem CID 112628064) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 1-[1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]ethanol
PubChem CID112628064
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name1-[1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]ethanol
SMILESCC(CCl)CN1CCC(C(C)O)C1
InChIInChI=1S/C10H20ClNO/c1-8(5-11)6-12-4-3-10(7-12)9(2)13/h8-10,13H,3-7H2,1-2H3
InChIKeyYRTLGFDOGNQBSY-UHFFFAOYSA-N
XLogP1.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]ethanol (CID 112628064) is 1-[1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]ethanol is CC(CCl)CN1CCC(C(C)O)C1.
What is the InChIKey of 1-[1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]ethanol?
The InChIKey is YRTLGFDOGNQBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-8(5-11)6-12-4-3-10(7-12)9(2)13/h8-10,13H,3-7H2,1-2H3.
What are the key properties of 1-[1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]ethanol?
1-[1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]ethanol has a molecular weight of 205.73 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112628064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).