(4R)-1-[3-(1-aminoethenyl)phenyl]-4-(3-cyclopentyloxy-4-phenoxyphenyl)pyrrolidin-2-one

C29H30N2O3 — CID 89203877

IUPAC(4R)-1-[3-(1-aminoethenyl)phenyl]-4-(3-cyclopentyloxy-4-phenoxyphenyl)pyrrolidin-2-one
SMILESC=C(N)c1cccc(N2C[C@@H](c3ccc(Oc4ccccc4)c(OC4CCCC4)c3)CC2=O)c1
InChIInChI=1S/C29H30N2O3/c1-20(30)21-8-7-9-24(16-21)31-19-23(18-29(31)32)22-14-15-27(33-25-10-3-2-4-11-25)28(17-22)34-26-12-5-6-13-26/h2-4,7-11,14-17,23,26H,1,5-6,12-13,18-19,30H2/t23-/m0/s1
InChIKeyPHXCCCDOUDLWFF-QHCPKHFHSA-N
MW454.57 g/mol
LogP6.25
Rot. Bonds7

About (4R)-1-[3-(1-aminoethenyl)phenyl]-4-(3-cyclopentyloxy-4-phenoxyphenyl)pyrrolidin-2-one

(4R)-1-[3-(1-aminoethenyl)phenyl]-4-(3-cyclopentyloxy-4-phenoxyphenyl)pyrrolidin-2-one (PubChem CID 89203877) has the molecular formula C29H30N2O3 and a molecular weight of 454.57 g/mol. Its IUPAC name is (4R)-1-[3-(1-aminoethenyl)phenyl]-4-(3-cyclopentyloxy-4-phenoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-[3-(1-aminoethenyl)phenyl]-4-(3-cyclopentyloxy-4-phenoxyphenyl)pyrrolidin-2-one
PubChem CID89203877
Molecular FormulaC29H30N2O3
Molecular Weight454.57 g/mol
Exact Mass454.23
IUPAC Name(4R)-1-[3-(1-aminoethenyl)phenyl]-4-(3-cyclopentyloxy-4-phenoxyphenyl)pyrrolidin-2-one
SMILESC=C(N)c1cccc(N2C[C@@H](c3ccc(Oc4ccccc4)c(OC4CCCC4)c3)CC2=O)c1
InChIInChI=1S/C29H30N2O3/c1-20(30)21-8-7-9-24(16-21)31-19-23(18-29(31)32)22-14-15-27(33-25-10-3-2-4-11-25)28(17-22)34-26-12-5-6-13-26/h2-4,7-11,14-17,23,26H,1,5-6,12-13,18-19,30H2/t23-/m0/s1
InChIKeyPHXCCCDOUDLWFF-QHCPKHFHSA-N
XLogP6.25
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-1-[3-(1-aminoethenyl)phenyl]-4-(3,4-dicyclopentyloxyphenyl)pyrrolidin-2-one
CID 89146208
3-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzenecarboximidamide
CID 68831352
(4R)-1-[3-(1-aminoethenyl)phenyl]-4-[4-chloro-3-(2-chlorophenoxy)phenyl]pyrrolidin-2-one
CID 89146166
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 10021760
4-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzamide
CID 10046158
(4R)-4-[4-amino-3-(2-amino-6-methylphenoxy)phenyl]-1-[3-(1-aminoethenyl)phenyl]pyrrolidin-2-one
CID 89146173
4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 10619838
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-methylsulfinylphenyl)pyrrolidin-2-one
CID 15958398
N-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzamide
CID 144706065
(4S)-4-[3-cyclopentyloxy-4-(cyclopropylmethoxy)phenyl]-1-(3-methylphenyl)pyrrolidin-2-one
CID 71029510
3-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-[(3-methoxyphenyl)methoxy]-N,N-dimethylbenzamide
CID 10325437
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 10364767

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[3-(1-aminoethenyl)phenyl]-4-(3-cyclopentyloxy-4-phenoxyphenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-1-[3-(1-aminoethenyl)phenyl]-4-(3-cyclopentyloxy-4-phenoxyphenyl)pyrrolidin-2-one (CID 89203877) is (4R)-1-[3-(1-aminoethenyl)phenyl]-4-(3-cyclopentyloxy-4-phenoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-[3-(1-aminoethenyl)phenyl]-4-(3-cyclopentyloxy-4-phenoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-[3-(1-aminoethenyl)phenyl]-4-(3-cyclopentyloxy-4-phenoxyphenyl)pyrrolidin-2-one is C=C(N)c1cccc(N2C[C@@H](c3ccc(Oc4ccccc4)c(OC4CCCC4)c3)CC2=O)c1.
What is the InChIKey of (4R)-1-[3-(1-aminoethenyl)phenyl]-4-(3-cyclopentyloxy-4-phenoxyphenyl)pyrrolidin-2-one?
The InChIKey is PHXCCCDOUDLWFF-QHCPKHFHSA-N. The full InChI is InChI=1S/C29H30N2O3/c1-20(30)21-8-7-9-24(16-21)31-19-23(18-29(31)32)22-14-15-27(33-25-10-3-2-4-11-25)28(17-22)34-26-12-5-6-13-26/h2-4,7-11,14-17,23,26H,1,5-6,12-13,18-19,30H2/t23-/m0/s1.
What are the key properties of (4R)-1-[3-(1-aminoethenyl)phenyl]-4-(3-cyclopentyloxy-4-phenoxyphenyl)pyrrolidin-2-one?
(4R)-1-[3-(1-aminoethenyl)phenyl]-4-(3-cyclopentyloxy-4-phenoxyphenyl)pyrrolidin-2-one has a molecular weight of 454.57 g/mol, XLogP of 6.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[3-(1-aminoethenyl)phenyl]-4-(3-cyclopentyloxy-4-phenoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 89203877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).