1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone

C16H21ClN2O2 — CID 91767867

IUPAC1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCC(c2ccccc2Cl)C1
InChIInChI=1S/C16H21ClN2O2/c17-15-4-2-1-3-14(15)13-5-6-19(11-13)16(20)12-18-7-9-21-10-8-18/h1-4,13H,5-12H2
InChIKeyASHSZCZXQDKSKG-UHFFFAOYSA-N
MW308.81 g/mol
LogP1.99
Rot. Bonds3

About 1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone

1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 91767867) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone
PubChem CID91767867
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCC(c2ccccc2Cl)C1
InChIInChI=1S/C16H21ClN2O2/c17-15-4-2-1-3-14(15)13-5-6-19(11-13)16(20)12-18-7-9-21-10-8-18/h1-4,13H,5-12H2
InChIKeyASHSZCZXQDKSKG-UHFFFAOYSA-N
XLogP1.99
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-chlorophenyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 118778888
(1-aminocyclopropyl)-[3-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 118793699
1-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-methylurea
CID 119064064
(1-aminocyclopropyl)-[3-(2-chlorophenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 154905009
2-[4-(2-chlorophenyl)piperidin-1-yl]acetic acid
CID 82131899
4-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 72905097
4-[2-[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 97280311
1-[(3R)-3-[4-(morpholine-4-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 92638688
1-[3-[4-(morpholine-4-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 110251602
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-morpholin-4-ylethanone
CID 56757034
4-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]benzoic acid
CID 97209889
1-[(3R)-3-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
CID 93228457

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone (CID 91767867) is 1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone is O=C(CN1CCOCC1)N1CCC(c2ccccc2Cl)C1.
What is the InChIKey of 1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is ASHSZCZXQDKSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c17-15-4-2-1-3-14(15)13-5-6-19(11-13)16(20)12-18-7-9-21-10-8-18/h1-4,13H,5-12H2.
What are the key properties of 1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone?
1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 308.81 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 91767867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).