1-[2-(4-chlorophenyl)pent-1-en-3-yl]pyrrolidin-2-ol

C15H20ClNO — CID 142988298

IUPAC1-[2-(4-chlorophenyl)pent-1-en-3-yl]pyrrolidin-2-ol
SMILESC=C(c1ccc(Cl)cc1)C(CC)N1CCCC1O
InChIInChI=1S/C15H20ClNO/c1-3-14(17-10-4-5-15(17)18)11(2)12-6-8-13(16)9-7-12/h6-9,14-15,18H,2-5,10H2,1H3
InChIKeyKDMVNUDXDIOFPW-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.55
Rot. Bonds4

About 1-[2-(4-chlorophenyl)pent-1-en-3-yl]pyrrolidin-2-ol

1-[2-(4-chlorophenyl)pent-1-en-3-yl]pyrrolidin-2-ol (PubChem CID 142988298) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)pent-1-en-3-yl]pyrrolidin-2-ol.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)pent-1-en-3-yl]pyrrolidin-2-ol
PubChem CID142988298
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name1-[2-(4-chlorophenyl)pent-1-en-3-yl]pyrrolidin-2-ol
SMILESC=C(c1ccc(Cl)cc1)C(CC)N1CCCC1O
InChIInChI=1S/C15H20ClNO/c1-3-14(17-10-4-5-15(17)18)11(2)12-6-8-13(16)9-7-12/h6-9,14-15,18H,2-5,10H2,1H3
InChIKeyKDMVNUDXDIOFPW-UHFFFAOYSA-N
XLogP3.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-hydroxypyrrolidin-1-yl)butanoic acid
CID 147425370
2-[1-[1-(4-chlorophenyl)propyl]pyrrolidin-2-yl]acetic acid
CID 65068211
2-[[1-(4-chlorophenyl)piperidin-3-yl]-methylamino]ethanol
CID 117005013
1-[1-(4-chlorophenyl)pyrrolidin-3-yl]butan-1-amine
CID 83981414
4-chloro-N-[4-(3-sulfanylpiperidin-1-yl)phenyl]benzamide
CID 146346002
1-(4-chlorophenyl)-2-methylpyrrolidine
CID 67847913
ethyl 4-[4-[(4-chlorobenzoyl)amino]phenyl]piperazine-1-carboxylate
CID 112984401
1-[(4-chlorophenyl)-(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 3917885
1-[1-(4-chlorophenyl)pyrrolidin-3-yl]butan-2-amine
CID 83981425
1-(4-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propan-1-one
CID 61421542
N-(4-chlorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331512
2-[1-(4-chlorophenyl)pyrrolidin-3-yl]hexanoic acid
CID 142749397

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)pent-1-en-3-yl]pyrrolidin-2-ol?
The IUPAC name of 1-[2-(4-chlorophenyl)pent-1-en-3-yl]pyrrolidin-2-ol (CID 142988298) is 1-[2-(4-chlorophenyl)pent-1-en-3-yl]pyrrolidin-2-ol.
What is the SMILES notation for 1-[2-(4-chlorophenyl)pent-1-en-3-yl]pyrrolidin-2-ol?
The canonical SMILES for 1-[2-(4-chlorophenyl)pent-1-en-3-yl]pyrrolidin-2-ol is C=C(c1ccc(Cl)cc1)C(CC)N1CCCC1O.
What is the InChIKey of 1-[2-(4-chlorophenyl)pent-1-en-3-yl]pyrrolidin-2-ol?
The InChIKey is KDMVNUDXDIOFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-3-14(17-10-4-5-15(17)18)11(2)12-6-8-13(16)9-7-12/h6-9,14-15,18H,2-5,10H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)pent-1-en-3-yl]pyrrolidin-2-ol?
1-[2-(4-chlorophenyl)pent-1-en-3-yl]pyrrolidin-2-ol has a molecular weight of 265.78 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)pent-1-en-3-yl]pyrrolidin-2-ol is sourced from PubChem (CID 142988298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).