10,10-dimethyl-10a-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one

C19H20N2OS — CID 5290102

IUPAC10,10-dimethyl-10a-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
SMILESCC1(C)c2ccccc2N2CCC(=O)NC21/C=C/c1cccs1
InChIInChI=1S/C19H20N2OS/c1-18(2)15-7-3-4-8-16(15)21-12-10-17(22)20-19(18,21)11-9-14-6-5-13-23-14/h3-9,11,13H,10,12H2,1-2H3,(H,20,22)/b11-9+
InChIKeyLLRKLTNKFHSDKD-PKNBQFBNSA-N
MW324.45 g/mol
LogP3.78
Rot. Bonds2

About 10,10-dimethyl-10a-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one

10,10-dimethyl-10a-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one (PubChem CID 5290102) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 10,10-dimethyl-10a-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one.

Molecular Properties

Compound Name10,10-dimethyl-10a-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
PubChem CID5290102
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name10,10-dimethyl-10a-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
SMILESCC1(C)c2ccccc2N2CCC(=O)NC21/C=C/c1cccs1
InChIInChI=1S/C19H20N2OS/c1-18(2)15-7-3-4-8-16(15)21-12-10-17(22)20-19(18,21)11-9-14-6-5-13-23-14/h3-9,11,13H,10,12H2,1-2H3,(H,20,22)/b11-9+
InChIKeyLLRKLTNKFHSDKD-PKNBQFBNSA-N
XLogP3.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-10a-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one?
The IUPAC name of 10,10-dimethyl-10a-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one (CID 5290102) is 10,10-dimethyl-10a-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one.
What is the SMILES notation for 10,10-dimethyl-10a-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one?
The canonical SMILES for 10,10-dimethyl-10a-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one is CC1(C)c2ccccc2N2CCC(=O)NC21/C=C/c1cccs1.
What is the InChIKey of 10,10-dimethyl-10a-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one?
The InChIKey is LLRKLTNKFHSDKD-PKNBQFBNSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-18(2)15-7-3-4-8-16(15)21-12-10-17(22)20-19(18,21)11-9-14-6-5-13-23-14/h3-9,11,13H,10,12H2,1-2H3,(H,20,22)/b11-9+.
What are the key properties of 10,10-dimethyl-10a-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one?
10,10-dimethyl-10a-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one has a molecular weight of 324.45 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-10a-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one is sourced from PubChem (CID 5290102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).