cis-(1R,3R)-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

About cis-(1R,3R)-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

cis-(1R,3R)-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 95139850) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is cis-(1R,3R)-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name	cis-(1R,3R)-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID	95139850
Molecular Formula	C21H28N2O2
Molecular Weight	340.47 g/mol
Exact Mass	340.22
IUPAC Name	cis-(1R,3R)-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILES	CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)C1(C)C
InChI	InChI=1S/C21H28N2O2/c1-14(2)12-16-18(21(16,3)4)19(24)22-17-10-11-23(20(17)25)13-15-8-6-5-7-9-15/h5-9,12,16-18H,10-11,13H2,1-4H3,(H,22,24)/t16-,17-,18+/m1/s1
InChIKey	OXIDPBVXLMJUFC-KURKYZTESA-N
XLogP	3.14
TPSA	49.41 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	5
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.47
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?

The IUPAC name of cis-(1R,3R)-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 95139850) is cis-(1R,3R)-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1R,3R)-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?

The canonical SMILES for cis-(1R,3R)-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)C1(C)C.

What is the InChIKey of cis-(1R,3R)-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?

The InChIKey is OXIDPBVXLMJUFC-KURKYZTESA-N. The full InChI is InChI=1S/C21H28N2O2/c1-14(2)12-16-18(21(16,3)4)19(24)22-17-10-11-23(20(17)25)13-15-8-6-5-7-9-15/h5-9,12,16-18H,10-11,13H2,1-4H3,(H,22,24)/t16-,17-,18+/m1/s1.

What are the key properties of cis-(1R,3R)-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?

cis-(1R,3R)-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,3R)-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95139850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).