7-cyclohexyl-1-pyrrolidin-1-ylheptan-1-one

C17H31NO — CID 155538030

IUPAC7-cyclohexyl-1-pyrrolidin-1-ylheptan-1-one
SMILESO=C(CCCCCCC1CCCCC1)N1CCCC1
InChIInChI=1S/C17H31NO/c19-17(18-14-8-9-15-18)13-7-2-1-4-10-16-11-5-3-6-12-16/h16H,1-15H2
InChIKeyGIPNZNCWTVCKSF-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.53
Rot. Bonds7

About 7-cyclohexyl-1-pyrrolidin-1-ylheptan-1-one

7-cyclohexyl-1-pyrrolidin-1-ylheptan-1-one (PubChem CID 155538030) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 7-cyclohexyl-1-pyrrolidin-1-ylheptan-1-one.

Molecular Properties

Compound Name7-cyclohexyl-1-pyrrolidin-1-ylheptan-1-one
PubChem CID155538030
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name7-cyclohexyl-1-pyrrolidin-1-ylheptan-1-one
SMILESO=C(CCCCCCC1CCCCC1)N1CCCC1
InChIInChI=1S/C17H31NO/c19-17(18-14-8-9-15-18)13-7-2-1-4-10-16-11-5-3-6-12-16/h16H,1-15H2
InChIKeyGIPNZNCWTVCKSF-UHFFFAOYSA-N
XLogP4.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-cyclohexyl-1-pyrrolidin-1-ylheptan-1-one?
The IUPAC name of 7-cyclohexyl-1-pyrrolidin-1-ylheptan-1-one (CID 155538030) is 7-cyclohexyl-1-pyrrolidin-1-ylheptan-1-one.
What is the SMILES notation for 7-cyclohexyl-1-pyrrolidin-1-ylheptan-1-one?
The canonical SMILES for 7-cyclohexyl-1-pyrrolidin-1-ylheptan-1-one is O=C(CCCCCCC1CCCCC1)N1CCCC1.
What is the InChIKey of 7-cyclohexyl-1-pyrrolidin-1-ylheptan-1-one?
The InChIKey is GIPNZNCWTVCKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c19-17(18-14-8-9-15-18)13-7-2-1-4-10-16-11-5-3-6-12-16/h16H,1-15H2.
What are the key properties of 7-cyclohexyl-1-pyrrolidin-1-ylheptan-1-one?
7-cyclohexyl-1-pyrrolidin-1-ylheptan-1-one has a molecular weight of 265.44 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-1-pyrrolidin-1-ylheptan-1-one is sourced from PubChem (CID 155538030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).