7-pyridin-3-yl-1-pyrrolidin-1-ylheptan-1-one

C16H24N2O — CID 155566488

IUPAC7-pyridin-3-yl-1-pyrrolidin-1-ylheptan-1-one
SMILESO=C(CCCCCCc1cccnc1)N1CCCC1
InChIInChI=1S/C16H24N2O/c19-16(18-12-5-6-13-18)10-4-2-1-3-8-15-9-7-11-17-14-15/h7,9,11,14H,1-6,8,10,12-13H2
InChIKeyKSLCJAODXAJLBZ-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.20
Rot. Bonds7

About 7-pyridin-3-yl-1-pyrrolidin-1-ylheptan-1-one

7-pyridin-3-yl-1-pyrrolidin-1-ylheptan-1-one (PubChem CID 155566488) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 7-pyridin-3-yl-1-pyrrolidin-1-ylheptan-1-one.

Molecular Properties

Compound Name7-pyridin-3-yl-1-pyrrolidin-1-ylheptan-1-one
PubChem CID155566488
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name7-pyridin-3-yl-1-pyrrolidin-1-ylheptan-1-one
SMILESO=C(CCCCCCc1cccnc1)N1CCCC1
InChIInChI=1S/C16H24N2O/c19-16(18-12-5-6-13-18)10-4-2-1-3-8-15-9-7-11-17-14-15/h7,9,11,14H,1-6,8,10,12-13H2
InChIKeyKSLCJAODXAJLBZ-UHFFFAOYSA-N
XLogP3.20
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.20
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 7-pyridin-3-yl-1-pyrrolidin-1-ylheptan-1-one?
The IUPAC name of 7-pyridin-3-yl-1-pyrrolidin-1-ylheptan-1-one (CID 155566488) is 7-pyridin-3-yl-1-pyrrolidin-1-ylheptan-1-one.
What is the SMILES notation for 7-pyridin-3-yl-1-pyrrolidin-1-ylheptan-1-one?
The canonical SMILES for 7-pyridin-3-yl-1-pyrrolidin-1-ylheptan-1-one is O=C(CCCCCCc1cccnc1)N1CCCC1.
What is the InChIKey of 7-pyridin-3-yl-1-pyrrolidin-1-ylheptan-1-one?
The InChIKey is KSLCJAODXAJLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c19-16(18-12-5-6-13-18)10-4-2-1-3-8-15-9-7-11-17-14-15/h7,9,11,14H,1-6,8,10,12-13H2.
What are the key properties of 7-pyridin-3-yl-1-pyrrolidin-1-ylheptan-1-one?
7-pyridin-3-yl-1-pyrrolidin-1-ylheptan-1-one has a molecular weight of 260.38 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyridin-3-yl-1-pyrrolidin-1-ylheptan-1-one is sourced from PubChem (CID 155566488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).