[1-[[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol

C13H23ClN2O — CID 111781116

IUPAC[1-[[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESC=C(Cl)CN1CCCC1CN1CCCC1CO
InChIInChI=1S/C13H23ClN2O/c1-11(14)8-15-6-2-4-12(15)9-16-7-3-5-13(16)10-17/h12-13,17H,1-10H2
InChIKeyUMKPAYDKRAWALO-UHFFFAOYSA-N
MW258.79 g/mol
LogP1.66
Rot. Bonds5

About [1-[[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol

[1-[[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 111781116) has the molecular formula C13H23ClN2O and a molecular weight of 258.79 g/mol. Its IUPAC name is [1-[[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
PubChem CID111781116
Molecular FormulaC13H23ClN2O
Molecular Weight258.79 g/mol
Exact Mass258.15
IUPAC Name[1-[[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESC=C(Cl)CN1CCCC1CN1CCCC1CO
InChIInChI=1S/C13H23ClN2O/c1-11(14)8-15-6-2-4-12(15)9-16-7-3-5-13(16)10-17/h12-13,17H,1-10H2
InChIKeyUMKPAYDKRAWALO-UHFFFAOYSA-N
XLogP1.66
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.79
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 97228617
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[1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]methanol
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[1-[(Z)-2,3-dichloroprop-2-enyl]pyrrolidin-2-yl]methanol
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[(2R)-1-(cyclopentylmethyl)pyrrolidin-2-yl]methanol
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2-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
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CID 14799157
1-(2-chloroprop-2-enyl)-2-methylpyrrolidine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of [1-[[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol (CID 111781116) is [1-[[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol is C=C(Cl)CN1CCCC1CN1CCCC1CO.
What is the InChIKey of [1-[[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is UMKPAYDKRAWALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN2O/c1-11(14)8-15-6-2-4-12(15)9-16-7-3-5-13(16)10-17/h12-13,17H,1-10H2.
What are the key properties of [1-[[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
[1-[[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 258.79 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 111781116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).