5-(4,6,7-trimethyl-1H-indol-3-yl)pent-1-en-2-ol

C16H21NO — CID 70351108

IUPAC5-(4,6,7-trimethyl-1H-indol-3-yl)pent-1-en-2-ol
SMILESC=C(O)CCCc1c[nH]c2c(C)c(C)cc(C)c12
InChIInChI=1S/C16H21NO/c1-10-8-11(2)15-14(7-5-6-12(3)18)9-17-16(15)13(10)4/h8-9,17-18H,3,5-7H2,1-2,4H3
InChIKeyBASDBKMFVIBWRF-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.49
Rot. Bonds4

About 5-(4,6,7-trimethyl-1H-indol-3-yl)pent-1-en-2-ol

5-(4,6,7-trimethyl-1H-indol-3-yl)pent-1-en-2-ol (PubChem CID 70351108) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-(4,6,7-trimethyl-1H-indol-3-yl)pent-1-en-2-ol.

Molecular Properties

Compound Name5-(4,6,7-trimethyl-1H-indol-3-yl)pent-1-en-2-ol
PubChem CID70351108
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name5-(4,6,7-trimethyl-1H-indol-3-yl)pent-1-en-2-ol
SMILESC=C(O)CCCc1c[nH]c2c(C)c(C)cc(C)c12
InChIInChI=1S/C16H21NO/c1-10-8-11(2)15-14(7-5-6-12(3)18)9-17-16(15)13(10)4/h8-9,17-18H,3,5-7H2,1-2,4H3
InChIKeyBASDBKMFVIBWRF-UHFFFAOYSA-N
XLogP4.49
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 5-(4,6,7-trimethyl-1H-indol-3-yl)pent-1-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-Ethyltryptophol
CID 198231
[2-(1H-benzo[g]indol-3-yl)-1-methylethyl]amine hydrochloride
CID 2965213
US9682968, Example-5-2
CID 90468038
US9682968, Example-2b(+)
CID 117822670
(2S,5R,6R,8aR)-5-(1H-indol-3-ylmethyl)-1,1,5,6-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-2-ol
CID 21602731
3-(3-((dimethylamino)methyl)-1H-indol-7-yl)propan-1-ol
CID 23640750
1-Methyl-2-(7-pentyl-1H-indol-3-yl)-ethylamine
CID 14739625
[6-(3-methylbut-2-enyl)-1H-indol-3-yl]methanol
CID 44559649
3-[(1S,2R,3R)-2-(1H-indol-3-ylmethyl)-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]propan-1-ol
CID 46831720
Indole-3-propanol
CID 77115
3-(16-Hydroxyhexadecyl)indole
CID 9863575
15-[2-(1H-indol-3-yl)ethylamino]pentadecan-1-ol
CID 46897304

Frequently Asked Questions

What is the IUPAC name of 5-(4,6,7-trimethyl-1H-indol-3-yl)pent-1-en-2-ol?
The IUPAC name of 5-(4,6,7-trimethyl-1H-indol-3-yl)pent-1-en-2-ol (CID 70351108) is 5-(4,6,7-trimethyl-1H-indol-3-yl)pent-1-en-2-ol.
What is the SMILES notation for 5-(4,6,7-trimethyl-1H-indol-3-yl)pent-1-en-2-ol?
The canonical SMILES for 5-(4,6,7-trimethyl-1H-indol-3-yl)pent-1-en-2-ol is C=C(O)CCCc1c[nH]c2c(C)c(C)cc(C)c12.
What is the InChIKey of 5-(4,6,7-trimethyl-1H-indol-3-yl)pent-1-en-2-ol?
The InChIKey is BASDBKMFVIBWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-10-8-11(2)15-14(7-5-6-12(3)18)9-17-16(15)13(10)4/h8-9,17-18H,3,5-7H2,1-2,4H3.
What are the key properties of 5-(4,6,7-trimethyl-1H-indol-3-yl)pent-1-en-2-ol?
5-(4,6,7-trimethyl-1H-indol-3-yl)pent-1-en-2-ol has a molecular weight of 243.35 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6,7-trimethyl-1H-indol-3-yl)pent-1-en-2-ol is sourced from PubChem (CID 70351108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).