7-[(Z)-but-2-enyl]-1,4-dihydroquinoline

C13H15N — CID 163954750

IUPAC7-[(Z)-but-2-enyl]-1,4-dihydroquinoline
SMILESC/C=C\Cc1ccc2c(c1)NC=CC2
InChIInChI=1S/C13H15N/c1-2-3-5-11-7-8-12-6-4-9-14-13(12)10-11/h2-4,7-10,14H,5-6H2,1H3/b3-2-
InChIKeySCJWWINTWLQVEV-IHWYPQMZSA-N
MW185.27 g/mol
LogP3.29
Rot. Bonds2

About 7-[(Z)-but-2-enyl]-1,4-dihydroquinoline

7-[(Z)-but-2-enyl]-1,4-dihydroquinoline (PubChem CID 163954750) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 7-[(Z)-but-2-enyl]-1,4-dihydroquinoline.

Molecular Properties

Compound Name7-[(Z)-but-2-enyl]-1,4-dihydroquinoline
PubChem CID163954750
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name7-[(Z)-but-2-enyl]-1,4-dihydroquinoline
SMILESC/C=C\Cc1ccc2c(c1)NC=CC2
InChIInChI=1S/C13H15N/c1-2-3-5-11-7-8-12-6-4-9-14-13(12)10-11/h2-4,7-10,14H,5-6H2,1H3/b3-2-
InChIKeySCJWWINTWLQVEV-IHWYPQMZSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(Z)-but-2-enyl]-1,4-dihydroquinoline?
The IUPAC name of 7-[(Z)-but-2-enyl]-1,4-dihydroquinoline (CID 163954750) is 7-[(Z)-but-2-enyl]-1,4-dihydroquinoline.
What is the SMILES notation for 7-[(Z)-but-2-enyl]-1,4-dihydroquinoline?
The canonical SMILES for 7-[(Z)-but-2-enyl]-1,4-dihydroquinoline is C/C=C\Cc1ccc2c(c1)NC=CC2.
What is the InChIKey of 7-[(Z)-but-2-enyl]-1,4-dihydroquinoline?
The InChIKey is SCJWWINTWLQVEV-IHWYPQMZSA-N. The full InChI is InChI=1S/C13H15N/c1-2-3-5-11-7-8-12-6-4-9-14-13(12)10-11/h2-4,7-10,14H,5-6H2,1H3/b3-2-.
What are the key properties of 7-[(Z)-but-2-enyl]-1,4-dihydroquinoline?
7-[(Z)-but-2-enyl]-1,4-dihydroquinoline has a molecular weight of 185.27 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(Z)-but-2-enyl]-1,4-dihydroquinoline is sourced from PubChem (CID 163954750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).