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

C15H19ClN2O2 — CID 119721636

IUPAC[2-(4-chlorophenyl)pyrrolidin-1-yl]-morpholin-2-ylmethanone
SMILESO=C(C1CNCCO1)N1CCCC1c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O2/c16-12-5-3-11(4-6-12)13-2-1-8-18(13)15(19)14-10-17-7-9-20-14/h3-6,13-14,17H,1-2,7-10H2
InChIKeyKHDDSKBTMNXGNQ-UHFFFAOYSA-N
MW294.78 g/mol
LogP1.99
Rot. Bonds2

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

[2-(4-chlorophenyl)pyrrolidin-1-yl]-morpholin-2-ylmethanone (PubChem CID 119721636) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is [2-(4-chlorophenyl)pyrrolidin-1-yl]-morpholin-2-ylmethanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)pyrrolidin-1-yl]-morpholin-2-ylmethanone
PubChem CID119721636
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name[2-(4-chlorophenyl)pyrrolidin-1-yl]-morpholin-2-ylmethanone
SMILESO=C(C1CNCCO1)N1CCCC1c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O2/c16-12-5-3-11(4-6-12)13-2-1-8-18(13)15(19)14-10-17-7-9-20-14/h3-6,13-14,17H,1-2,7-10H2
InChIKeyKHDDSKBTMNXGNQ-UHFFFAOYSA-N
XLogP1.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)pyrrolidin-1-yl]-morpholin-2-ylmethanone?
The IUPAC name of [2-(4-chlorophenyl)pyrrolidin-1-yl]-morpholin-2-ylmethanone (CID 119721636) is [2-(4-chlorophenyl)pyrrolidin-1-yl]-morpholin-2-ylmethanone.
What is the SMILES notation for [2-(4-chlorophenyl)pyrrolidin-1-yl]-morpholin-2-ylmethanone?
The canonical SMILES for [2-(4-chlorophenyl)pyrrolidin-1-yl]-morpholin-2-ylmethanone is O=C(C1CNCCO1)N1CCCC1c1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chlorophenyl)pyrrolidin-1-yl]-morpholin-2-ylmethanone?
The InChIKey is KHDDSKBTMNXGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c16-12-5-3-11(4-6-12)13-2-1-8-18(13)15(19)14-10-17-7-9-20-14/h3-6,13-14,17H,1-2,7-10H2.
What are the key properties of [2-(4-chlorophenyl)pyrrolidin-1-yl]-morpholin-2-ylmethanone?
[2-(4-chlorophenyl)pyrrolidin-1-yl]-morpholin-2-ylmethanone has a molecular weight of 294.78 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)pyrrolidin-1-yl]-morpholin-2-ylmethanone is sourced from PubChem (CID 119721636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).