5-(3,5-dimethyl-2H-pyrrol-4-yl)-1,3-dimethyl-2-[(Z)-3-methylpent-1-enyl]-2H-pyridine

C19H28N2 — CID 135294824

IUPAC5-(3,5-dimethyl-2H-pyrrol-4-yl)-1,3-dimethyl-2-[(Z)-3-methylpent-1-enyl]-2H-pyridine
SMILESCCC(C)/C=C\C1C(C)=CC(C2=C(C)CN=C2C)=CN1C
InChIInChI=1S/C19H28N2/c1-7-13(2)8-9-18-14(3)10-17(12-21(18)6)19-15(4)11-20-16(19)5/h8-10,12-13,18H,7,11H2,1-6H3/b9-8-
InChIKeyCZRWXUVJMGZJKF-HJWRWDBZSA-N
MW284.45 g/mol
LogP4.52
Rot. Bonds4

About 5-(3,5-dimethyl-2H-pyrrol-4-yl)-1,3-dimethyl-2-[(Z)-3-methylpent-1-enyl]-2H-pyridine

5-(3,5-dimethyl-2H-pyrrol-4-yl)-1,3-dimethyl-2-[(Z)-3-methylpent-1-enyl]-2H-pyridine (PubChem CID 135294824) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 5-(3,5-dimethyl-2H-pyrrol-4-yl)-1,3-dimethyl-2-[(Z)-3-methylpent-1-enyl]-2H-pyridine.

Molecular Properties

Compound Name5-(3,5-dimethyl-2H-pyrrol-4-yl)-1,3-dimethyl-2-[(Z)-3-methylpent-1-enyl]-2H-pyridine
PubChem CID135294824
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name5-(3,5-dimethyl-2H-pyrrol-4-yl)-1,3-dimethyl-2-[(Z)-3-methylpent-1-enyl]-2H-pyridine
SMILESCCC(C)/C=C\C1C(C)=CC(C2=C(C)CN=C2C)=CN1C
InChIInChI=1S/C19H28N2/c1-7-13(2)8-9-18-14(3)10-17(12-21(18)6)19-15(4)11-20-16(19)5/h8-10,12-13,18H,7,11H2,1-6H3/b9-8-
InChIKeyCZRWXUVJMGZJKF-HJWRWDBZSA-N
XLogP4.52
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-(3,5-dimethyl-2H-pyrrol-4-yl)-1,3-dimethyl-2-[(Z)-3-methylpent-1-enyl]-2H-pyridine?
The IUPAC name of 5-(3,5-dimethyl-2H-pyrrol-4-yl)-1,3-dimethyl-2-[(Z)-3-methylpent-1-enyl]-2H-pyridine (CID 135294824) is 5-(3,5-dimethyl-2H-pyrrol-4-yl)-1,3-dimethyl-2-[(Z)-3-methylpent-1-enyl]-2H-pyridine.
What is the SMILES notation for 5-(3,5-dimethyl-2H-pyrrol-4-yl)-1,3-dimethyl-2-[(Z)-3-methylpent-1-enyl]-2H-pyridine?
The canonical SMILES for 5-(3,5-dimethyl-2H-pyrrol-4-yl)-1,3-dimethyl-2-[(Z)-3-methylpent-1-enyl]-2H-pyridine is CCC(C)/C=C\C1C(C)=CC(C2=C(C)CN=C2C)=CN1C.
What is the InChIKey of 5-(3,5-dimethyl-2H-pyrrol-4-yl)-1,3-dimethyl-2-[(Z)-3-methylpent-1-enyl]-2H-pyridine?
The InChIKey is CZRWXUVJMGZJKF-HJWRWDBZSA-N. The full InChI is InChI=1S/C19H28N2/c1-7-13(2)8-9-18-14(3)10-17(12-21(18)6)19-15(4)11-20-16(19)5/h8-10,12-13,18H,7,11H2,1-6H3/b9-8-.
What are the key properties of 5-(3,5-dimethyl-2H-pyrrol-4-yl)-1,3-dimethyl-2-[(Z)-3-methylpent-1-enyl]-2H-pyridine?
5-(3,5-dimethyl-2H-pyrrol-4-yl)-1,3-dimethyl-2-[(Z)-3-methylpent-1-enyl]-2H-pyridine has a molecular weight of 284.45 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-2H-pyrrol-4-yl)-1,3-dimethyl-2-[(Z)-3-methylpent-1-enyl]-2H-pyridine is sourced from PubChem (CID 135294824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).