1-cycloheptyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one

C16H26N2O3 — CID 53016012

IUPAC1-cycloheptyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(C2CCCCCC2)C1)N1CCOCC1
InChIInChI=1S/C16H26N2O3/c19-15-11-13(16(20)17-7-9-21-10-8-17)12-18(15)14-5-3-1-2-4-6-14/h13-14H,1-12H2
InChIKeyPJTIKESXNWYSSZ-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.42
Rot. Bonds2

About 1-cycloheptyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one

1-cycloheptyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one (PubChem CID 53016012) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-cycloheptyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-cycloheptyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
PubChem CID53016012
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-cycloheptyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(C2CCCCCC2)C1)N1CCOCC1
InChIInChI=1S/C16H26N2O3/c19-15-11-13(16(20)17-7-9-21-10-8-17)12-18(15)14-5-3-1-2-4-6-14/h13-14H,1-12H2
InChIKeyPJTIKESXNWYSSZ-UHFFFAOYSA-N
XLogP1.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-cycloheptyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one (CID 53016012) is 1-cycloheptyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-cycloheptyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-cycloheptyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one is O=C(C1CC(=O)N(C2CCCCCC2)C1)N1CCOCC1.
What is the InChIKey of 1-cycloheptyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one?
The InChIKey is PJTIKESXNWYSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c19-15-11-13(16(20)17-7-9-21-10-8-17)12-18(15)14-5-3-1-2-4-6-14/h13-14H,1-12H2.
What are the key properties of 1-cycloheptyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one?
1-cycloheptyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one has a molecular weight of 294.39 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 53016012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).