1-[(Z)-hex-3-en-3-yl]-3-methyl-2H-imidazole

C10H18N2 — CID 69137475

IUPAC1-[(Z)-hex-3-en-3-yl]-3-methyl-2H-imidazole
SMILESCC/C=C(/CC)N1C=CN(C)C1
InChIInChI=1S/C10H18N2/c1-4-6-10(5-2)12-8-7-11(3)9-12/h6-8H,4-5,9H2,1-3H3/b10-6-
InChIKeyMHRVOZBWAIOUNS-POHAHGRESA-N
MW166.27 g/mol
LogP2.37
Rot. Bonds3

About 1-[(Z)-hex-3-en-3-yl]-3-methyl-2H-imidazole

1-[(Z)-hex-3-en-3-yl]-3-methyl-2H-imidazole (PubChem CID 69137475) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-[(Z)-hex-3-en-3-yl]-3-methyl-2H-imidazole.

Molecular Properties

Compound Name1-[(Z)-hex-3-en-3-yl]-3-methyl-2H-imidazole
PubChem CID69137475
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-[(Z)-hex-3-en-3-yl]-3-methyl-2H-imidazole
SMILESCC/C=C(/CC)N1C=CN(C)C1
InChIInChI=1S/C10H18N2/c1-4-6-10(5-2)12-8-7-11(3)9-12/h6-8H,4-5,9H2,1-3H3/b10-6-
InChIKeyMHRVOZBWAIOUNS-POHAHGRESA-N
XLogP2.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-hex-3-en-3-yl]-3-methyl-2H-imidazole?
The IUPAC name of 1-[(Z)-hex-3-en-3-yl]-3-methyl-2H-imidazole (CID 69137475) is 1-[(Z)-hex-3-en-3-yl]-3-methyl-2H-imidazole.
What is the SMILES notation for 1-[(Z)-hex-3-en-3-yl]-3-methyl-2H-imidazole?
The canonical SMILES for 1-[(Z)-hex-3-en-3-yl]-3-methyl-2H-imidazole is CC/C=C(/CC)N1C=CN(C)C1.
What is the InChIKey of 1-[(Z)-hex-3-en-3-yl]-3-methyl-2H-imidazole?
The InChIKey is MHRVOZBWAIOUNS-POHAHGRESA-N. The full InChI is InChI=1S/C10H18N2/c1-4-6-10(5-2)12-8-7-11(3)9-12/h6-8H,4-5,9H2,1-3H3/b10-6-.
What are the key properties of 1-[(Z)-hex-3-en-3-yl]-3-methyl-2H-imidazole?
1-[(Z)-hex-3-en-3-yl]-3-methyl-2H-imidazole has a molecular weight of 166.27 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-hex-3-en-3-yl]-3-methyl-2H-imidazole is sourced from PubChem (CID 69137475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).