3a,4,4-trimethyl-3-prop-2-enyl-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]indol-2-one

C16H24N2O — CID 24870090

IUPAC3a,4,4-trimethyl-3-prop-2-enyl-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]indol-2-one
SMILESC=CCN1C(=O)CN2C3=C(CCCC3)C(C)(C)C12C
InChIInChI=1S/C16H24N2O/c1-5-10-17-14(19)11-18-13-9-7-6-8-12(13)15(2,3)16(17,18)4/h5H,1,6-11H2,2-4H3
InChIKeyCYLZFZDQWPHBEX-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.90
Rot. Bonds2

About 3a,4,4-trimethyl-3-prop-2-enyl-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]indol-2-one

3a,4,4-trimethyl-3-prop-2-enyl-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]indol-2-one (PubChem CID 24870090) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3a,4,4-trimethyl-3-prop-2-enyl-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]indol-2-one.

Molecular Properties

Compound Name3a,4,4-trimethyl-3-prop-2-enyl-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]indol-2-one
PubChem CID24870090
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3a,4,4-trimethyl-3-prop-2-enyl-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]indol-2-one
SMILESC=CCN1C(=O)CN2C3=C(CCCC3)C(C)(C)C12C
InChIInChI=1S/C16H24N2O/c1-5-10-17-14(19)11-18-13-9-7-6-8-12(13)15(2,3)16(17,18)4/h5H,1,6-11H2,2-4H3
InChIKeyCYLZFZDQWPHBEX-UHFFFAOYSA-N
XLogP2.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 135126719
4,4-dimethyl-3-prop-2-enyl-1,3-oxazolidin-2-one
CID 71380521
5,5-dimethyl-1-prop-2-enylimidazolidine-2,4-dione
CID 59116103
(3aS)-3a,4,4-trimethyl-3-propyl-1H-imidazo[1,2-a]indol-2-one
CID 40563694
3a,6a-dimethyl-3,4,6-tris(prop-2-enyl)-1H-imidazo[4,5-d]imidazole-2,5-dione
CID 122583271
3,3-dimethyl-1-prop-2-enyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64902390
1,4-dimethyl-2-prop-2-enylpyrazolidin-3-one
CID 13104228
3a-methyl-1,3,4,6-tetrakis(prop-2-enyl)-6aH-imidazo[4,5-d]imidazole-2,5-dione
CID 122583244
azane;1-prop-2-enylpyrrolidin-2-one
CID 174828980
(8aR)-3,3-dideuterio-8a-prop-2-enyl-2,6,7,8-tetrahydropyrrolo[1,2-a](415N)pyrazine-1,4-dione
CID 11564647
3,3-dimethyl-1-prop-2-enylpiperidin-4-one
CID 117024262

Frequently Asked Questions

What is the IUPAC name of 3a,4,4-trimethyl-3-prop-2-enyl-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]indol-2-one?
The IUPAC name of 3a,4,4-trimethyl-3-prop-2-enyl-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]indol-2-one (CID 24870090) is 3a,4,4-trimethyl-3-prop-2-enyl-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]indol-2-one.
What is the SMILES notation for 3a,4,4-trimethyl-3-prop-2-enyl-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]indol-2-one?
The canonical SMILES for 3a,4,4-trimethyl-3-prop-2-enyl-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]indol-2-one is C=CCN1C(=O)CN2C3=C(CCCC3)C(C)(C)C12C.
What is the InChIKey of 3a,4,4-trimethyl-3-prop-2-enyl-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]indol-2-one?
The InChIKey is CYLZFZDQWPHBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-5-10-17-14(19)11-18-13-9-7-6-8-12(13)15(2,3)16(17,18)4/h5H,1,6-11H2,2-4H3.
What are the key properties of 3a,4,4-trimethyl-3-prop-2-enyl-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]indol-2-one?
3a,4,4-trimethyl-3-prop-2-enyl-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]indol-2-one has a molecular weight of 260.38 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4,4-trimethyl-3-prop-2-enyl-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]indol-2-one is sourced from PubChem (CID 24870090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).