4-methyl-1-prop-2-enyl-2H-pyridine

C9H13N — CID 45079636

IUPAC4-methyl-1-prop-2-enyl-2H-pyridine
SMILESC=CCN1C=CC(C)=CC1
InChIInChI=1S/C9H13N/c1-3-6-10-7-4-9(2)5-8-10/h3-5,7H,1,6,8H2,2H3
InChIKeyUHUCHPSPNKFLDP-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.95
Rot. Bonds2

About 4-methyl-1-prop-2-enyl-2H-pyridine

4-methyl-1-prop-2-enyl-2H-pyridine (PubChem CID 45079636) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 4-methyl-1-prop-2-enyl-2H-pyridine.

Molecular Properties

Compound Name4-methyl-1-prop-2-enyl-2H-pyridine
PubChem CID45079636
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name4-methyl-1-prop-2-enyl-2H-pyridine
SMILESC=CCN1C=CC(C)=CC1
InChIInChI=1S/C9H13N/c1-3-6-10-7-4-9(2)5-8-10/h3-5,7H,1,6,8H2,2H3
InChIKeyUHUCHPSPNKFLDP-UHFFFAOYSA-N
XLogP1.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.95
H-Bond Donors ≤ 50
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 4-methyl-1-prop-2-enyl-2H-pyridine?
The IUPAC name of 4-methyl-1-prop-2-enyl-2H-pyridine (CID 45079636) is 4-methyl-1-prop-2-enyl-2H-pyridine.
What is the SMILES notation for 4-methyl-1-prop-2-enyl-2H-pyridine?
The canonical SMILES for 4-methyl-1-prop-2-enyl-2H-pyridine is C=CCN1C=CC(C)=CC1.
What is the InChIKey of 4-methyl-1-prop-2-enyl-2H-pyridine?
The InChIKey is UHUCHPSPNKFLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-3-6-10-7-4-9(2)5-8-10/h3-5,7H,1,6,8H2,2H3.
What are the key properties of 4-methyl-1-prop-2-enyl-2H-pyridine?
4-methyl-1-prop-2-enyl-2H-pyridine has a molecular weight of 135.21 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-prop-2-enyl-2H-pyridine is sourced from PubChem (CID 45079636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).