4-[(E)-3,3-dimethylbut-1-enyl]pyridine

C11H15N — CID 59172126

IUPAC4-[(E)-3,3-dimethylbut-1-enyl]pyridine
SMILESCC(C)(C)/C=C/c1ccncc1
InChIInChI=1S/C11H15N/c1-11(2,3)7-4-10-5-8-12-9-6-10/h4-9H,1-3H3/b7-4+
InChIKeyMWXPNFMJOWLHAP-QPJJXVBHSA-N
MW161.25 g/mol
LogP3.14
Rot. Bonds1

About 4-[(E)-3,3-dimethylbut-1-enyl]pyridine

4-[(E)-3,3-dimethylbut-1-enyl]pyridine (PubChem CID 59172126) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 4-[(E)-3,3-dimethylbut-1-enyl]pyridine.

Molecular Properties

Compound Name4-[(E)-3,3-dimethylbut-1-enyl]pyridine
PubChem CID59172126
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name4-[(E)-3,3-dimethylbut-1-enyl]pyridine
SMILESCC(C)(C)/C=C/c1ccncc1
InChIInChI=1S/C11H15N/c1-11(2,3)7-4-10-5-8-12-9-6-10/h4-9H,1-3H3/b7-4+
InChIKeyMWXPNFMJOWLHAP-QPJJXVBHSA-N
XLogP3.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3,3-dimethylbut-1-enyl]pyridine?
The IUPAC name of 4-[(E)-3,3-dimethylbut-1-enyl]pyridine (CID 59172126) is 4-[(E)-3,3-dimethylbut-1-enyl]pyridine.
What is the SMILES notation for 4-[(E)-3,3-dimethylbut-1-enyl]pyridine?
The canonical SMILES for 4-[(E)-3,3-dimethylbut-1-enyl]pyridine is CC(C)(C)/C=C/c1ccncc1.
What is the InChIKey of 4-[(E)-3,3-dimethylbut-1-enyl]pyridine?
The InChIKey is MWXPNFMJOWLHAP-QPJJXVBHSA-N. The full InChI is InChI=1S/C11H15N/c1-11(2,3)7-4-10-5-8-12-9-6-10/h4-9H,1-3H3/b7-4+.
What are the key properties of 4-[(E)-3,3-dimethylbut-1-enyl]pyridine?
4-[(E)-3,3-dimethylbut-1-enyl]pyridine has a molecular weight of 161.25 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3,3-dimethylbut-1-enyl]pyridine is sourced from PubChem (CID 59172126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).