8-ethyl-10a-[2-(furan-2-yl)ethenyl]-10,10-dimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one

C21H24N2O2 — CID 3565883

IUPAC8-ethyl-10a-[2-(furan-2-yl)ethenyl]-10,10-dimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
SMILESCCc1ccc2c(c1)C(C)(C)C1(C=Cc3ccco3)NC(=O)CCN21
InChIInChI=1S/C21H24N2O2/c1-4-15-7-8-18-17(14-15)20(2,3)21(11-9-16-6-5-13-25-16)22-19(24)10-12-23(18)21/h5-9,11,13-14H,4,10,12H2,1-3H3,(H,22,24)
InChIKeyRFPWXMVPWYZVBN-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.87
Rot. Bonds3

About 8-ethyl-10a-[2-(furan-2-yl)ethenyl]-10,10-dimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one

8-ethyl-10a-[2-(furan-2-yl)ethenyl]-10,10-dimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one (PubChem CID 3565883) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 8-ethyl-10a-[2-(furan-2-yl)ethenyl]-10,10-dimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one.

Molecular Properties

Compound Name8-ethyl-10a-[2-(furan-2-yl)ethenyl]-10,10-dimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
PubChem CID3565883
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name8-ethyl-10a-[2-(furan-2-yl)ethenyl]-10,10-dimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
SMILESCCc1ccc2c(c1)C(C)(C)C1(C=Cc3ccco3)NC(=O)CCN21
InChIInChI=1S/C21H24N2O2/c1-4-15-7-8-18-17(14-15)20(2,3)21(11-9-16-6-5-13-25-16)22-19(24)10-12-23(18)21/h5-9,11,13-14H,4,10,12H2,1-3H3,(H,22,24)
InChIKeyRFPWXMVPWYZVBN-UHFFFAOYSA-N
XLogP3.87
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3a-[2-(furan-2-yl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 4834802
(10aR)-10a-[(E)-2-(2-methoxynaphthalen-1-yl)ethenyl]-8,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
CID 2010350
10a-[(E)-2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]ethenyl]-8,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
CID 6216869
10a-[2-(2,3-dimethoxyphenyl)ethenyl]-8,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
CID 4836957
10a-[(E)-2-(4-methoxyphenyl)ethenyl]-8,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
CID 6216719
10a-[2-(2-butoxyphenyl)ethenyl]-10,10-dimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
CID 3776984
10,10-dimethyl-10a-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
CID 5290102
10a-[2-(2,4-dichlorophenyl)ethenyl]-10,10-dimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
CID 4561562
(10aS)-8-bromo-10,10-dimethyl-10a-[(E)-2-(3-nitrophenyl)ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
CID 41003741
(10aS)-10,10-dimethyl-10a-[(Z)-2-(3-phenylmethoxyphenyl)ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
CID 2043943
8,10,10-trimethyl-10a-[2-(9-methylcarbazol-3-yl)ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
CID 3832558
(10aS)-10,10-dimethyl-10a-[2-(4-propan-2-ylphenyl)ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
CID 163082324

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-10a-[2-(furan-2-yl)ethenyl]-10,10-dimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one?
The IUPAC name of 8-ethyl-10a-[2-(furan-2-yl)ethenyl]-10,10-dimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one (CID 3565883) is 8-ethyl-10a-[2-(furan-2-yl)ethenyl]-10,10-dimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one.
What is the SMILES notation for 8-ethyl-10a-[2-(furan-2-yl)ethenyl]-10,10-dimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one?
The canonical SMILES for 8-ethyl-10a-[2-(furan-2-yl)ethenyl]-10,10-dimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one is CCc1ccc2c(c1)C(C)(C)C1(C=Cc3ccco3)NC(=O)CCN21.
What is the InChIKey of 8-ethyl-10a-[2-(furan-2-yl)ethenyl]-10,10-dimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one?
The InChIKey is RFPWXMVPWYZVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-4-15-7-8-18-17(14-15)20(2,3)21(11-9-16-6-5-13-25-16)22-19(24)10-12-23(18)21/h5-9,11,13-14H,4,10,12H2,1-3H3,(H,22,24).
What are the key properties of 8-ethyl-10a-[2-(furan-2-yl)ethenyl]-10,10-dimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one?
8-ethyl-10a-[2-(furan-2-yl)ethenyl]-10,10-dimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one has a molecular weight of 336.44 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-10a-[2-(furan-2-yl)ethenyl]-10,10-dimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one is sourced from PubChem (CID 3565883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).