1-phenyl-2-pyrrolidin-1-ylnonan-1-one

C19H29NO — CID 69247748

IUPAC1-phenyl-2-pyrrolidin-1-ylnonan-1-one
SMILESCCCCCCCC(C(=O)c1ccccc1)N1CCCC1
InChIInChI=1S/C19H29NO/c1-2-3-4-5-9-14-18(20-15-10-11-16-20)19(21)17-12-7-6-8-13-17/h6-8,12-13,18H,2-5,9-11,14-16H2,1H3
InChIKeyRYJXAZXFWIWTOJ-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.69
Rot. Bonds9

About 1-phenyl-2-pyrrolidin-1-ylnonan-1-one

1-phenyl-2-pyrrolidin-1-ylnonan-1-one (PubChem CID 69247748) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-phenyl-2-pyrrolidin-1-ylnonan-1-one.

Molecular Properties

Compound Name1-phenyl-2-pyrrolidin-1-ylnonan-1-one
PubChem CID69247748
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-phenyl-2-pyrrolidin-1-ylnonan-1-one
SMILESCCCCCCCC(C(=O)c1ccccc1)N1CCCC1
InChIInChI=1S/C19H29NO/c1-2-3-4-5-9-14-18(20-15-10-11-16-20)19(21)17-12-7-6-8-13-17/h6-8,12-13,18H,2-5,9-11,14-16H2,1H3
InChIKeyRYJXAZXFWIWTOJ-UHFFFAOYSA-N
XLogP4.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-pyrrolidin-1-ylnonan-1-one?
The IUPAC name of 1-phenyl-2-pyrrolidin-1-ylnonan-1-one (CID 69247748) is 1-phenyl-2-pyrrolidin-1-ylnonan-1-one.
What is the SMILES notation for 1-phenyl-2-pyrrolidin-1-ylnonan-1-one?
The canonical SMILES for 1-phenyl-2-pyrrolidin-1-ylnonan-1-one is CCCCCCCC(C(=O)c1ccccc1)N1CCCC1.
What is the InChIKey of 1-phenyl-2-pyrrolidin-1-ylnonan-1-one?
The InChIKey is RYJXAZXFWIWTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-2-3-4-5-9-14-18(20-15-10-11-16-20)19(21)17-12-7-6-8-13-17/h6-8,12-13,18H,2-5,9-11,14-16H2,1H3.
What are the key properties of 1-phenyl-2-pyrrolidin-1-ylnonan-1-one?
1-phenyl-2-pyrrolidin-1-ylnonan-1-one has a molecular weight of 287.45 g/mol, XLogP of 4.69, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-pyrrolidin-1-ylnonan-1-one is sourced from PubChem (CID 69247748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).