2-(1-aminocyclobutyl)-1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone;hydrochloride

C16H23ClN2O2 — CID 75495963

IUPAC2-(1-aminocyclobutyl)-1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone;hydrochloride
SMILESCl.NC1(CC(=O)N2CCCC2c2ccc(O)cc2)CCC1
InChIInChI=1S/C16H22N2O2.ClH/c17-16(8-2-9-16)11-15(20)18-10-1-3-14(18)12-4-6-13(19)7-5-12;/h4-7,14,19H,1-3,8-11,17H2;1H
InChIKeySAFKPVYGRQNSKB-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.75
Rot. Bonds3

About 2-(1-aminocyclobutyl)-1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone;hydrochloride

2-(1-aminocyclobutyl)-1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone;hydrochloride (PubChem CID 75495963) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone;hydrochloride
PubChem CID75495963
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name2-(1-aminocyclobutyl)-1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone;hydrochloride
SMILESCl.NC1(CC(=O)N2CCCC2c2ccc(O)cc2)CCC1
InChIInChI=1S/C16H22N2O2.ClH/c17-16(8-2-9-16)11-15(20)18-10-1-3-14(18)12-4-6-13(19)7-5-12;/h4-7,14,19H,1-3,8-11,17H2;1H
InChIKeySAFKPVYGRQNSKB-UHFFFAOYSA-N
XLogP2.75
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclobutyl)-1-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]ethanone
CID 97161070
2-(1-aminocyclobutyl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 79853993
2-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119288410
2-(1-aminocyclobutyl)-1-(2-benzylpyrrolidin-1-yl)ethanone
CID 79854779
2,2,2-trifluoro-1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone
CID 171086663
2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride
CID 119338691
1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 47828879
3-[2-(4-hydroxyphenyl)pyrrolidine-1-carbonyl]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 146102912
2-(1-hydroxycyclohexyl)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 111432185
2-amino-1-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]ethanone
CID 119288426
3-(2,5-difluorophenyl)-1-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 94801020
(1-aminocyclopropyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 65465058

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(1-aminocyclobutyl)-1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone;hydrochloride (CID 75495963) is 2-(1-aminocyclobutyl)-1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(1-aminocyclobutyl)-1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(1-aminocyclobutyl)-1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone;hydrochloride is Cl.NC1(CC(=O)N2CCCC2c2ccc(O)cc2)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone;hydrochloride?
The InChIKey is SAFKPVYGRQNSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.ClH/c17-16(8-2-9-16)11-15(20)18-10-1-3-14(18)12-4-6-13(19)7-5-12;/h4-7,14,19H,1-3,8-11,17H2;1H.
What are the key properties of 2-(1-aminocyclobutyl)-1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone;hydrochloride?
2-(1-aminocyclobutyl)-1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone;hydrochloride has a molecular weight of 310.82 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 75495963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).