prop-1-ene;quinoline

C12H13N — CID 159640565

IUPACprop-1-ene;quinoline
SMILESC=CC.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C3H6/c1-2-6-9-8(4-1)5-3-7-10-9;1-3-2/h1-7H;3H,1H2,2H3
InChIKeyMQHMFJHSTBOZIK-UHFFFAOYSA-N
MW171.24 g/mol
LogP3.43
Rot. Bonds

About prop-1-ene;quinoline

prop-1-ene;quinoline (PubChem CID 159640565) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is prop-1-ene;quinoline.

Molecular Properties

Compound Nameprop-1-ene;quinoline
PubChem CID159640565
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Nameprop-1-ene;quinoline
SMILESC=CC.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C3H6/c1-2-6-9-8(4-1)5-3-7-10-9;1-3-2/h1-7H;3H,1H2,2H3
InChIKeyMQHMFJHSTBOZIK-UHFFFAOYSA-N
XLogP3.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

quinoline
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quinoline;silver
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CID 175273158
CID 175273158
hydron;quinoline
CID 131854096
platinum(2+);quinoline
CID 50910245
CID 159709187
CID 159709187
N,N-dimethylmethanamine;quinoline
CID 174404526
ethane;methanol;quinoline
CID 90686502
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CID 159945466
ethene;formaldehyde;quinoline
CID 142226527

Frequently Asked Questions

What is the IUPAC name of prop-1-ene;quinoline?
The IUPAC name of prop-1-ene;quinoline (CID 159640565) is prop-1-ene;quinoline.
What is the SMILES notation for prop-1-ene;quinoline?
The canonical SMILES for prop-1-ene;quinoline is C=CC.c1ccc2ncccc2c1.
What is the InChIKey of prop-1-ene;quinoline?
The InChIKey is MQHMFJHSTBOZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C3H6/c1-2-6-9-8(4-1)5-3-7-10-9;1-3-2/h1-7H;3H,1H2,2H3.
What are the key properties of prop-1-ene;quinoline?
prop-1-ene;quinoline has a molecular weight of 171.24 g/mol, XLogP of 3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-ene;quinoline is sourced from PubChem (CID 159640565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).