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

C22H24N2O — CID 928792

IUPAC(10aS)-8,10,10-trimethyl-10a-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
SMILESCc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccccc3)NC(=O)CCN21
InChIInChI=1S/C22H24N2O/c1-16-9-10-19-18(15-16)21(2,3)22(23-20(25)12-14-24(19)22)13-11-17-7-5-4-6-8-17/h4-11,13,15H,12,14H2,1-3H3,(H,23,25)/b13-11+/t22-/m0/s1
InChIKeyMHKNHLTWQVRVIA-SDNYCIMKSA-N
MW332.45 g/mol
LogP4.02
Rot. Bonds2

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

(10aS)-8,10,10-trimethyl-10a-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one (PubChem CID 928792) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is (10aS)-8,10,10-trimethyl-10a-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one.

Molecular Properties

Compound Name(10aS)-8,10,10-trimethyl-10a-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
PubChem CID928792
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name(10aS)-8,10,10-trimethyl-10a-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
SMILESCc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccccc3)NC(=O)CCN21
InChIInChI=1S/C22H24N2O/c1-16-9-10-19-18(15-16)21(2,3)22(23-20(25)12-14-24(19)22)13-11-17-7-5-4-6-8-17/h4-11,13,15H,12,14H2,1-3H3,(H,23,25)/b13-11+/t22-/m0/s1
InChIKeyMHKNHLTWQVRVIA-SDNYCIMKSA-N
XLogP4.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (10aS)-8,10,10-trimethyl-10a-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one with MolForge

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Related Compounds

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CID 1891764
1H-Indole-1-carboxamide, 2,3-dihydro-N-(4-methylphenyl)-
CID 1225695
N-(2,4-Dimethylphenyl)-N'-[3-(2-oxo-1-pyrrolidinyl)propyl]urea
CID 24819495
Spiro[2H-indole-2,2'-piperidin]-6'-one, 1,3-dihydro-1,3,3-trimethyl-
CID 3242250
(4aS,9bR)-2,8-dimethyl-N-[3-(trifluoromethyl)phenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole-5-carboxamide
CID 663695
N-(3,4-dimethylphenyl)-1-indolinecarboxamide
CID 6470011
3-ethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indol-2-one
CID 24854368
N-(4-tert-butylphenyl)-1-oxo-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 44570976
N-[4-(1-isobutyrylpiperidin-4-yl)phenyl]-1,3-dihydro-2H-isoindole-2-carboxamide
CID 57510022
N-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide
CID 73670742
1-[5-[2-(Piperidin-4-ylmethylamino)cyclopropyl]-2,3-dihydroindol-1-yl]butan-1-one
CID 132240698
1-[5-[2-(Piperidin-4-ylmethylamino)cyclopropyl]-2,3-dihydroindol-1-yl]propan-1-one
CID 132240701

Frequently Asked Questions

What is the IUPAC name of (10aS)-8,10,10-trimethyl-10a-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one?
The IUPAC name of (10aS)-8,10,10-trimethyl-10a-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one (CID 928792) is (10aS)-8,10,10-trimethyl-10a-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one.
What is the SMILES notation for (10aS)-8,10,10-trimethyl-10a-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one?
The canonical SMILES for (10aS)-8,10,10-trimethyl-10a-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one is Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccccc3)NC(=O)CCN21.
What is the InChIKey of (10aS)-8,10,10-trimethyl-10a-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one?
The InChIKey is MHKNHLTWQVRVIA-SDNYCIMKSA-N. The full InChI is InChI=1S/C22H24N2O/c1-16-9-10-19-18(15-16)21(2,3)22(23-20(25)12-14-24(19)22)13-11-17-7-5-4-6-8-17/h4-11,13,15H,12,14H2,1-3H3,(H,23,25)/b13-11+/t22-/m0/s1.
What are the key properties of (10aS)-8,10,10-trimethyl-10a-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one?
(10aS)-8,10,10-trimethyl-10a-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one has a molecular weight of 332.45 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10aS)-8,10,10-trimethyl-10a-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one is sourced from PubChem (CID 928792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).