(2-phenylcyclopropyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride

C20H22ClNO — CID 5331349

IUPAC(2-phenylcyclopropyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCl.O=C(C1CC1c1ccccc1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C20H21NO.ClH/c22-20(19-13-18(19)16-9-5-2-6-10-16)21-12-11-17(14-21)15-7-3-1-4-8-15;/h1-10,17-19H,11-14H2;1H
InChIKeyUATFUTGZHKIFFC-UHFFFAOYSA-N
MW327.86 g/mol
LogP4.23
Rot. Bonds3

About (2-phenylcyclopropyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride

(2-phenylcyclopropyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride (PubChem CID 5331349) has the molecular formula C20H22ClNO and a molecular weight of 327.86 g/mol. Its IUPAC name is (2-phenylcyclopropyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(2-phenylcyclopropyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride
PubChem CID5331349
Molecular FormulaC20H22ClNO
Molecular Weight327.86 g/mol
Exact Mass327.14
IUPAC Name(2-phenylcyclopropyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCl.O=C(C1CC1c1ccccc1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C20H21NO.ClH/c22-20(19-13-18(19)16-9-5-2-6-10-16)21-12-11-17(14-21)15-7-3-1-4-8-15;/h1-10,17-19H,11-14H2;1H
InChIKeyUATFUTGZHKIFFC-UHFFFAOYSA-N
XLogP4.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-hydroxypiperidin-1-yl)-(2-phenylcyclopropyl)methanone
CID 78971302
(4-hydroxy-3-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone
CID 114501442
(2-hydroxycyclopentyl)-(3-phenylpyrrolidin-1-yl)methanone
CID 110014366
[(3R)-3-aminopiperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 102978507
[(1S,3R)-3-phenylcyclopentyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone;hydrochloride
CID 161457507
(3-bromo-4-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone
CID 102962104
[3-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81479336
trans-(1R,3R)-3-[(3S)-3-phenylpyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 124778341
2-[1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl]acetic acid
CID 81368111
(3-aminocyclohexyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 119724972
(4-aminooxolan-3-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 66236076
oxolan-2-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 110871538

Frequently Asked Questions

What is the IUPAC name of (2-phenylcyclopropyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride?
The IUPAC name of (2-phenylcyclopropyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride (CID 5331349) is (2-phenylcyclopropyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (2-phenylcyclopropyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride?
The canonical SMILES for (2-phenylcyclopropyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride is Cl.O=C(C1CC1c1ccccc1)N1CCC(c2ccccc2)C1.
What is the InChIKey of (2-phenylcyclopropyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride?
The InChIKey is UATFUTGZHKIFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO.ClH/c22-20(19-13-18(19)16-9-5-2-6-10-16)21-12-11-17(14-21)15-7-3-1-4-8-15;/h1-10,17-19H,11-14H2;1H.
What are the key properties of (2-phenylcyclopropyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride?
(2-phenylcyclopropyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylcyclopropyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 5331349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).