4-(3-methylcyclohexyl)-3-[1-(2-methylcyclohexyl)propyl]-5-methylidenepyrrolidin-2-one

C22H37NO — CID 123820022

IUPAC4-(3-methylcyclohexyl)-3-[1-(2-methylcyclohexyl)propyl]-5-methylidenepyrrolidin-2-one
SMILESC=C1NC(=O)C(C(CC)C2CCCCC2C)C1C1CCCC(C)C1
InChIInChI=1S/C22H37NO/c1-5-18(19-12-7-6-10-15(19)3)21-20(16(4)23-22(21)24)17-11-8-9-14(2)13-17/h14-15,17-21H,4-13H2,1-3H3,(H,23,24)
InChIKeySFCSWNTZQNCRDR-UHFFFAOYSA-N
MW331.54 g/mol
LogP5.54
Rot. Bonds4

About 4-(3-methylcyclohexyl)-3-[1-(2-methylcyclohexyl)propyl]-5-methylidenepyrrolidin-2-one

4-(3-methylcyclohexyl)-3-[1-(2-methylcyclohexyl)propyl]-5-methylidenepyrrolidin-2-one (PubChem CID 123820022) has the molecular formula C22H37NO and a molecular weight of 331.54 g/mol. Its IUPAC name is 4-(3-methylcyclohexyl)-3-[1-(2-methylcyclohexyl)propyl]-5-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name4-(3-methylcyclohexyl)-3-[1-(2-methylcyclohexyl)propyl]-5-methylidenepyrrolidin-2-one
PubChem CID123820022
Molecular FormulaC22H37NO
Molecular Weight331.54 g/mol
Exact Mass331.29
IUPAC Name4-(3-methylcyclohexyl)-3-[1-(2-methylcyclohexyl)propyl]-5-methylidenepyrrolidin-2-one
SMILESC=C1NC(=O)C(C(CC)C2CCCCC2C)C1C1CCCC(C)C1
InChIInChI=1S/C22H37NO/c1-5-18(19-12-7-6-10-15(19)3)21-20(16(4)23-22(21)24)17-11-8-9-14(2)13-17/h14-15,17-21H,4-13H2,1-3H3,(H,23,24)
InChIKeySFCSWNTZQNCRDR-UHFFFAOYSA-N
XLogP5.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.54
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylcyclohexyl)-3-[1-(2-methylcyclohexyl)propyl]-5-methylidenepyrrolidin-2-one?
The IUPAC name of 4-(3-methylcyclohexyl)-3-[1-(2-methylcyclohexyl)propyl]-5-methylidenepyrrolidin-2-one (CID 123820022) is 4-(3-methylcyclohexyl)-3-[1-(2-methylcyclohexyl)propyl]-5-methylidenepyrrolidin-2-one.
What is the SMILES notation for 4-(3-methylcyclohexyl)-3-[1-(2-methylcyclohexyl)propyl]-5-methylidenepyrrolidin-2-one?
The canonical SMILES for 4-(3-methylcyclohexyl)-3-[1-(2-methylcyclohexyl)propyl]-5-methylidenepyrrolidin-2-one is C=C1NC(=O)C(C(CC)C2CCCCC2C)C1C1CCCC(C)C1.
What is the InChIKey of 4-(3-methylcyclohexyl)-3-[1-(2-methylcyclohexyl)propyl]-5-methylidenepyrrolidin-2-one?
The InChIKey is SFCSWNTZQNCRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO/c1-5-18(19-12-7-6-10-15(19)3)21-20(16(4)23-22(21)24)17-11-8-9-14(2)13-17/h14-15,17-21H,4-13H2,1-3H3,(H,23,24).
What are the key properties of 4-(3-methylcyclohexyl)-3-[1-(2-methylcyclohexyl)propyl]-5-methylidenepyrrolidin-2-one?
4-(3-methylcyclohexyl)-3-[1-(2-methylcyclohexyl)propyl]-5-methylidenepyrrolidin-2-one has a molecular weight of 331.54 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylcyclohexyl)-3-[1-(2-methylcyclohexyl)propyl]-5-methylidenepyrrolidin-2-one is sourced from PubChem (CID 123820022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).