1-[4-[2-(6,7-dimethylspiro[chromene-2,4'-piperidine]-1'-yl)acetyl]phenyl]pyrrolidin-2-one

C27H30N2O3 — CID 92554884

IUPAC1-[4-[2-(6,7-dimethylspiro[chromene-2,4'-piperidine]-1'-yl)acetyl]phenyl]pyrrolidin-2-one
SMILESCc1cc2c(cc1C)OC1(C=C2)CCN(CC(=O)c2ccc(N3CCCC3=O)cc2)CC1
InChIInChI=1S/C27H30N2O3/c1-19-16-22-9-10-27(32-25(22)17-20(19)2)11-14-28(15-12-27)18-24(30)21-5-7-23(8-6-21)29-13-3-4-26(29)31/h5-10,16-17H,3-4,11-15,18H2,1-2H3
InChIKeyJGERSUNVCDETAX-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.55
Rot. Bonds4

About 1-[4-[2-(6,7-dimethylspiro[chromene-2,4'-piperidine]-1'-yl)acetyl]phenyl]pyrrolidin-2-one

1-[4-[2-(6,7-dimethylspiro[chromene-2,4'-piperidine]-1'-yl)acetyl]phenyl]pyrrolidin-2-one (PubChem CID 92554884) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1-[4-[2-(6,7-dimethylspiro[chromene-2,4'-piperidine]-1'-yl)acetyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-(6,7-dimethylspiro[chromene-2,4'-piperidine]-1'-yl)acetyl]phenyl]pyrrolidin-2-one
PubChem CID92554884
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name1-[4-[2-(6,7-dimethylspiro[chromene-2,4'-piperidine]-1'-yl)acetyl]phenyl]pyrrolidin-2-one
SMILESCc1cc2c(cc1C)OC1(C=C2)CCN(CC(=O)c2ccc(N3CCCC3=O)cc2)CC1
InChIInChI=1S/C27H30N2O3/c1-19-16-22-9-10-27(32-25(22)17-20(19)2)11-14-28(15-12-27)18-24(30)21-5-7-23(8-6-21)29-13-3-4-26(29)31/h5-10,16-17H,3-4,11-15,18H2,1-2H3
InChIKeyJGERSUNVCDETAX-UHFFFAOYSA-N
XLogP4.55
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[2-(6,7-dimethylspiro[chromene-2,4'-piperidine]-1'-yl)acetyl]phenyl]pyrrolidin-2-one with MolForge

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Related Compounds

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1-[4-(3-methylbutanoyl)phenyl]pyrrolidin-2-one
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1-(4-heptanoylphenyl)pyrrolidin-2-one
CID 114752117
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(3,4-dimethylphenyl)acetate
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[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3-methylthiophene-2-carboxylate
CID 8647743
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CID 108730448
1-[4-[2-(4-propanoylphenoxy)acetyl]phenyl]pyrrolidin-2-one
CID 8650952
1-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 43038526
4-(3,4-dimethylphenyl)-4-oxo-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]butanamide
CID 48824060
ethyl 3-methyl-5-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiophene-2-carboxylate
CID 51146237
3,4-dimethyl-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(6,7-dimethylspiro[chromene-2,4'-piperidine]-1'-yl)acetyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[2-(6,7-dimethylspiro[chromene-2,4'-piperidine]-1'-yl)acetyl]phenyl]pyrrolidin-2-one (CID 92554884) is 1-[4-[2-(6,7-dimethylspiro[chromene-2,4'-piperidine]-1'-yl)acetyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[2-(6,7-dimethylspiro[chromene-2,4'-piperidine]-1'-yl)acetyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[2-(6,7-dimethylspiro[chromene-2,4'-piperidine]-1'-yl)acetyl]phenyl]pyrrolidin-2-one is Cc1cc2c(cc1C)OC1(C=C2)CCN(CC(=O)c2ccc(N3CCCC3=O)cc2)CC1.
What is the InChIKey of 1-[4-[2-(6,7-dimethylspiro[chromene-2,4'-piperidine]-1'-yl)acetyl]phenyl]pyrrolidin-2-one?
The InChIKey is JGERSUNVCDETAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-19-16-22-9-10-27(32-25(22)17-20(19)2)11-14-28(15-12-27)18-24(30)21-5-7-23(8-6-21)29-13-3-4-26(29)31/h5-10,16-17H,3-4,11-15,18H2,1-2H3.
What are the key properties of 1-[4-[2-(6,7-dimethylspiro[chromene-2,4'-piperidine]-1'-yl)acetyl]phenyl]pyrrolidin-2-one?
1-[4-[2-(6,7-dimethylspiro[chromene-2,4'-piperidine]-1'-yl)acetyl]phenyl]pyrrolidin-2-one has a molecular weight of 430.55 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(6,7-dimethylspiro[chromene-2,4'-piperidine]-1'-yl)acetyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 92554884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).