3-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)prop-1-en-1-ol

C12H17NO — CID 70630584

IUPAC3-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)prop-1-en-1-ol
SMILESOC=CCN1CCCC2CC=CC=C21
InChIInChI=1S/C12H17NO/c14-10-4-9-13-8-3-6-11-5-1-2-7-12(11)13/h1-2,4,7,10-11,14H,3,5-6,8-9H2
InChIKeyFLEIVJWURBATSM-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.61
Rot. Bonds2

About 3-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)prop-1-en-1-ol

3-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)prop-1-en-1-ol (PubChem CID 70630584) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)prop-1-en-1-ol.

Molecular Properties

Compound Name3-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)prop-1-en-1-ol
PubChem CID70630584
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)prop-1-en-1-ol
SMILESOC=CCN1CCCC2CC=CC=C21
InChIInChI=1S/C12H17NO/c14-10-4-9-13-8-3-6-11-5-1-2-7-12(11)13/h1-2,4,7,10-11,14H,3,5-6,8-9H2
InChIKeyFLEIVJWURBATSM-UHFFFAOYSA-N
XLogP2.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)prop-1-en-1-ol?
The IUPAC name of 3-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)prop-1-en-1-ol (CID 70630584) is 3-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)prop-1-en-1-ol.
What is the SMILES notation for 3-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)prop-1-en-1-ol?
The canonical SMILES for 3-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)prop-1-en-1-ol is OC=CCN1CCCC2CC=CC=C21.
What is the InChIKey of 3-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)prop-1-en-1-ol?
The InChIKey is FLEIVJWURBATSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c14-10-4-9-13-8-3-6-11-5-1-2-7-12(11)13/h1-2,4,7,10-11,14H,3,5-6,8-9H2.
What are the key properties of 3-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)prop-1-en-1-ol?
3-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)prop-1-en-1-ol has a molecular weight of 191.27 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)prop-1-en-1-ol is sourced from PubChem (CID 70630584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).