(Z)-2-cyclopropyl-N-(3-methylbut-2-en-2-yl)but-2-en-1-imine

C12H19N — CID 118438988

IUPAC(Z)-2-cyclopropyl-N-(3-methylbut-2-en-2-yl)but-2-en-1-imine
SMILESC/C=C(\C=N\C(C)=C(C)C)C1CC1
InChIInChI=1S/C12H19N/c1-5-11(12-6-7-12)8-13-10(4)9(2)3/h5,8,12H,6-7H2,1-4H3/b11-5+,13-8+
InChIKeyGRQJIDQSGCRMNE-PZLJUMJASA-N
MW177.29 g/mol
LogP3.73
Rot. Bonds3

About (Z)-2-cyclopropyl-N-(3-methylbut-2-en-2-yl)but-2-en-1-imine

(Z)-2-cyclopropyl-N-(3-methylbut-2-en-2-yl)but-2-en-1-imine (PubChem CID 118438988) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (Z)-2-cyclopropyl-N-(3-methylbut-2-en-2-yl)but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-cyclopropyl-N-(3-methylbut-2-en-2-yl)but-2-en-1-imine
PubChem CID118438988
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(Z)-2-cyclopropyl-N-(3-methylbut-2-en-2-yl)but-2-en-1-imine
SMILESC/C=C(\C=N\C(C)=C(C)C)C1CC1
InChIInChI=1S/C12H19N/c1-5-11(12-6-7-12)8-13-10(4)9(2)3/h5,8,12H,6-7H2,1-4H3/b11-5+,13-8+
InChIKeyGRQJIDQSGCRMNE-PZLJUMJASA-N
XLogP3.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyclopropyl-N-(3-methylbut-2-en-2-yl)but-2-en-1-imine?
The IUPAC name of (Z)-2-cyclopropyl-N-(3-methylbut-2-en-2-yl)but-2-en-1-imine (CID 118438988) is (Z)-2-cyclopropyl-N-(3-methylbut-2-en-2-yl)but-2-en-1-imine.
What is the SMILES notation for (Z)-2-cyclopropyl-N-(3-methylbut-2-en-2-yl)but-2-en-1-imine?
The canonical SMILES for (Z)-2-cyclopropyl-N-(3-methylbut-2-en-2-yl)but-2-en-1-imine is C/C=C(\C=N\C(C)=C(C)C)C1CC1.
What is the InChIKey of (Z)-2-cyclopropyl-N-(3-methylbut-2-en-2-yl)but-2-en-1-imine?
The InChIKey is GRQJIDQSGCRMNE-PZLJUMJASA-N. The full InChI is InChI=1S/C12H19N/c1-5-11(12-6-7-12)8-13-10(4)9(2)3/h5,8,12H,6-7H2,1-4H3/b11-5+,13-8+.
What are the key properties of (Z)-2-cyclopropyl-N-(3-methylbut-2-en-2-yl)but-2-en-1-imine?
(Z)-2-cyclopropyl-N-(3-methylbut-2-en-2-yl)but-2-en-1-imine has a molecular weight of 177.29 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyclopropyl-N-(3-methylbut-2-en-2-yl)but-2-en-1-imine is sourced from PubChem (CID 118438988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).