2-methyl-4-prop-2-enyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-7-ol

C17H23NO — CID 67930034

IUPAC2-methyl-4-prop-2-enyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-7-ol
SMILESC=CCN1CC(C)CC2c3cccc(O)c3CCC21
InChIInChI=1S/C17H23NO/c1-3-9-18-11-12(2)10-15-13-5-4-6-17(19)14(13)7-8-16(15)18/h3-6,12,15-16,19H,1,7-11H2,2H3
InChIKeyJNYMAIQZWYABRU-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.32
Rot. Bonds2

About 2-methyl-4-prop-2-enyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-7-ol

2-methyl-4-prop-2-enyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-7-ol (PubChem CID 67930034) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-methyl-4-prop-2-enyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-7-ol.

Molecular Properties

Compound Name2-methyl-4-prop-2-enyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-7-ol
PubChem CID67930034
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2-methyl-4-prop-2-enyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-7-ol
SMILESC=CCN1CC(C)CC2c3cccc(O)c3CCC21
InChIInChI=1S/C17H23NO/c1-3-9-18-11-12(2)10-15-13-5-4-6-17(19)14(13)7-8-16(15)18/h3-6,12,15-16,19H,1,7-11H2,2H3
InChIKeyJNYMAIQZWYABRU-UHFFFAOYSA-N
XLogP3.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-4-prop-2-enyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-7-ol with MolForge

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Related Compounds

(3aS,9bS)-6-methoxy-3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole;hydrochloride
CID 67720463
2-[(2S,4aR,10bR)-7-hydroxy-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-2-yl]acetonitrile
CID 14488758
(3aR,9bS)-3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-9-ol
CID 14944884
(3aR,9bS)-3-(2-morpholin-4-ylethyl)-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-ol;dihydrochloride
CID 67780321
(2aR,8bR)-8-methoxy-2-prop-2-enyl-2a,3,4,8b-tetrahydro-1H-naphtho[2,1-b]azete
CID 10059714
2-(2-hydroxyphenyl)-1-prop-2-enyl-3,4-dihydro-2H-quinolin-5-ol
CID 175037520
2,3,5-trimethyl-1-prop-2-enylpiperidine
CID 130659291
2-[4-[(3aR,9bS)-6-hydroxy-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-3-yl]butyl]isoindole-1,3-dione
CID 54115001
(4aR,10bR)-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzothiazin-7-ol
CID 14195132
1-[(2-methylcyclopropyl)amino]-2,3-dihydro-1H-inden-4-ol
CID 62397315
3-(2-hydroxyethyl)-1,2,3a,4,5,9b-hexahydrobenzo[e]indole-6,7-diol
CID 77155516
3-cyclopentyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-ol
CID 19021493

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-prop-2-enyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-7-ol?
The IUPAC name of 2-methyl-4-prop-2-enyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-7-ol (CID 67930034) is 2-methyl-4-prop-2-enyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-7-ol.
What is the SMILES notation for 2-methyl-4-prop-2-enyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-7-ol?
The canonical SMILES for 2-methyl-4-prop-2-enyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-7-ol is C=CCN1CC(C)CC2c3cccc(O)c3CCC21.
What is the InChIKey of 2-methyl-4-prop-2-enyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-7-ol?
The InChIKey is JNYMAIQZWYABRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-3-9-18-11-12(2)10-15-13-5-4-6-17(19)14(13)7-8-16(15)18/h3-6,12,15-16,19H,1,7-11H2,2H3.
What are the key properties of 2-methyl-4-prop-2-enyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-7-ol?
2-methyl-4-prop-2-enyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-7-ol has a molecular weight of 257.38 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-prop-2-enyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-7-ol is sourced from PubChem (CID 67930034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).