10a-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one

C24H29N3O — CID 5287277

IUPAC10a-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
SMILESCC1CN2c3ccccc3C(C)(C)C2(/C=C/c2ccc(N(C)C)cc2)NC1=O
InChIInChI=1S/C24H29N3O/c1-17-16-27-21-9-7-6-8-20(21)23(2,3)24(27,25-22(17)28)15-14-18-10-12-19(13-11-18)26(4)5/h6-15,17H,16H2,1-5H3,(H,25,28)/b15-14+
InChIKeyYXVYMGORJIFWRG-CCEZHUSRSA-N
MW375.52 g/mol
LogP4.03
Rot. Bonds3

About 10a-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one

10a-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one (PubChem CID 5287277) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 10a-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one.

Molecular Properties

Compound Name10a-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
PubChem CID5287277
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name10a-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
SMILESCC1CN2c3ccccc3C(C)(C)C2(/C=C/c2ccc(N(C)C)cc2)NC1=O
InChIInChI=1S/C24H29N3O/c1-17-16-27-21-9-7-6-8-20(21)23(2,3)24(27,25-22(17)28)15-14-18-10-12-19(13-11-18)26(4)5/h6-15,17H,16H2,1-5H3,(H,25,28)/b15-14+
InChIKeyYXVYMGORJIFWRG-CCEZHUSRSA-N
XLogP4.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10a-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one?
The IUPAC name of 10a-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one (CID 5287277) is 10a-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one.
What is the SMILES notation for 10a-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one?
The canonical SMILES for 10a-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one is CC1CN2c3ccccc3C(C)(C)C2(/C=C/c2ccc(N(C)C)cc2)NC1=O.
What is the InChIKey of 10a-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one?
The InChIKey is YXVYMGORJIFWRG-CCEZHUSRSA-N. The full InChI is InChI=1S/C24H29N3O/c1-17-16-27-21-9-7-6-8-20(21)23(2,3)24(27,25-22(17)28)15-14-18-10-12-19(13-11-18)26(4)5/h6-15,17H,16H2,1-5H3,(H,25,28)/b15-14+.
What are the key properties of 10a-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one?
10a-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one has a molecular weight of 375.52 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10a-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one is sourced from PubChem (CID 5287277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).