10a-[(E)-2-(4-methoxyphenyl)ethenyl]-8,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one

C23H26N2O2 — CID 6216719

IUPAC10a-[(E)-2-(4-methoxyphenyl)ethenyl]-8,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
SMILESCOc1ccc(/C=C/C23NC(=O)CCN2c2ccc(C)cc2C3(C)C)cc1
InChIInChI=1S/C23H26N2O2/c1-16-5-10-20-19(15-16)22(2,3)23(24-21(26)12-14-25(20)23)13-11-17-6-8-18(27-4)9-7-17/h5-11,13,15H,12,14H2,1-4H3,(H,24,26)/b13-11+
InChIKeyNHWXQGNCQKMEBQ-ACCUITESSA-N
MW362.47 g/mol
LogP4.03
Rot. Bonds3

About 10a-[(E)-2-(4-methoxyphenyl)ethenyl]-8,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one

10a-[(E)-2-(4-methoxyphenyl)ethenyl]-8,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one (PubChem CID 6216719) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 10a-[(E)-2-(4-methoxyphenyl)ethenyl]-8,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one.

Molecular Properties

Compound Name10a-[(E)-2-(4-methoxyphenyl)ethenyl]-8,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
PubChem CID6216719
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name10a-[(E)-2-(4-methoxyphenyl)ethenyl]-8,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
SMILESCOc1ccc(/C=C/C23NC(=O)CCN2c2ccc(C)cc2C3(C)C)cc1
InChIInChI=1S/C23H26N2O2/c1-16-5-10-20-19(15-16)22(2,3)23(24-21(26)12-14-25(20)23)13-11-17-6-8-18(27-4)9-7-17/h5-11,13,15H,12,14H2,1-4H3,(H,24,26)/b13-11+
InChIKeyNHWXQGNCQKMEBQ-ACCUITESSA-N
XLogP4.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10a-[(E)-2-(4-methoxyphenyl)ethenyl]-8,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one?
The IUPAC name of 10a-[(E)-2-(4-methoxyphenyl)ethenyl]-8,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one (CID 6216719) is 10a-[(E)-2-(4-methoxyphenyl)ethenyl]-8,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one.
What is the SMILES notation for 10a-[(E)-2-(4-methoxyphenyl)ethenyl]-8,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one?
The canonical SMILES for 10a-[(E)-2-(4-methoxyphenyl)ethenyl]-8,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one is COc1ccc(/C=C/C23NC(=O)CCN2c2ccc(C)cc2C3(C)C)cc1.
What is the InChIKey of 10a-[(E)-2-(4-methoxyphenyl)ethenyl]-8,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one?
The InChIKey is NHWXQGNCQKMEBQ-ACCUITESSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-16-5-10-20-19(15-16)22(2,3)23(24-21(26)12-14-25(20)23)13-11-17-6-8-18(27-4)9-7-17/h5-11,13,15H,12,14H2,1-4H3,(H,24,26)/b13-11+.
What are the key properties of 10a-[(E)-2-(4-methoxyphenyl)ethenyl]-8,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one?
10a-[(E)-2-(4-methoxyphenyl)ethenyl]-8,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one has a molecular weight of 362.47 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-methoxyphenyl)ethenyl]-8,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one is sourced from PubChem (CID 6216719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).