(3R,5R)-5-(5-cyclohexa-1,3-dien-1-yl-2-methylheptyl)-3-methylpyrrolidin-2-one

C19H31NO — CID 137397197

IUPAC(3R,5R)-5-(5-cyclohexa-1,3-dien-1-yl-2-methylheptyl)-3-methylpyrrolidin-2-one
SMILESCCC(CCC(C)C[C@@H]1C[C@@H](C)C(=O)N1)C1=CC=CCC1
InChIInChI=1S/C19H31NO/c1-4-16(17-8-6-5-7-9-17)11-10-14(2)12-18-13-15(3)19(21)20-18/h5-6,8,14-16,18H,4,7,9-13H2,1-3H3,(H,20,21)/t14?,15-,16?,18-/m1/s1
InChIKeyXZHVVUWIGYCYAZ-HDWXEKECSA-N
MW289.46 g/mol
LogP4.62
Rot. Bonds7

About (3R,5R)-5-(5-cyclohexa-1,3-dien-1-yl-2-methylheptyl)-3-methylpyrrolidin-2-one

(3R,5R)-5-(5-cyclohexa-1,3-dien-1-yl-2-methylheptyl)-3-methylpyrrolidin-2-one (PubChem CID 137397197) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is (3R,5R)-5-(5-cyclohexa-1,3-dien-1-yl-2-methylheptyl)-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R,5R)-5-(5-cyclohexa-1,3-dien-1-yl-2-methylheptyl)-3-methylpyrrolidin-2-one
PubChem CID137397197
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name(3R,5R)-5-(5-cyclohexa-1,3-dien-1-yl-2-methylheptyl)-3-methylpyrrolidin-2-one
SMILESCCC(CCC(C)C[C@@H]1C[C@@H](C)C(=O)N1)C1=CC=CCC1
InChIInChI=1S/C19H31NO/c1-4-16(17-8-6-5-7-9-17)11-10-14(2)12-18-13-15(3)19(21)20-18/h5-6,8,14-16,18H,4,7,9-13H2,1-3H3,(H,20,21)/t14?,15-,16?,18-/m1/s1
InChIKeyXZHVVUWIGYCYAZ-HDWXEKECSA-N
XLogP4.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3R,5R)-5-(5-cyclohexa-1,3-dien-1-yl-2-methylheptyl)-3-methylpyrrolidin-2-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-(5-cyclohexa-1,3-dien-1-yl-2-methylheptyl)-3-methylpyrrolidin-2-one?
The IUPAC name of (3R,5R)-5-(5-cyclohexa-1,3-dien-1-yl-2-methylheptyl)-3-methylpyrrolidin-2-one (CID 137397197) is (3R,5R)-5-(5-cyclohexa-1,3-dien-1-yl-2-methylheptyl)-3-methylpyrrolidin-2-one.
What is the SMILES notation for (3R,5R)-5-(5-cyclohexa-1,3-dien-1-yl-2-methylheptyl)-3-methylpyrrolidin-2-one?
The canonical SMILES for (3R,5R)-5-(5-cyclohexa-1,3-dien-1-yl-2-methylheptyl)-3-methylpyrrolidin-2-one is CCC(CCC(C)C[C@@H]1C[C@@H](C)C(=O)N1)C1=CC=CCC1.
What is the InChIKey of (3R,5R)-5-(5-cyclohexa-1,3-dien-1-yl-2-methylheptyl)-3-methylpyrrolidin-2-one?
The InChIKey is XZHVVUWIGYCYAZ-HDWXEKECSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-16(17-8-6-5-7-9-17)11-10-14(2)12-18-13-15(3)19(21)20-18/h5-6,8,14-16,18H,4,7,9-13H2,1-3H3,(H,20,21)/t14?,15-,16?,18-/m1/s1.
What are the key properties of (3R,5R)-5-(5-cyclohexa-1,3-dien-1-yl-2-methylheptyl)-3-methylpyrrolidin-2-one?
(3R,5R)-5-(5-cyclohexa-1,3-dien-1-yl-2-methylheptyl)-3-methylpyrrolidin-2-one has a molecular weight of 289.46 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-(5-cyclohexa-1,3-dien-1-yl-2-methylheptyl)-3-methylpyrrolidin-2-one is sourced from PubChem (CID 137397197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).