N-(1-cyclopropylethenyl)-3-methylidenepent-4-en-2-imine

C11H15N — CID 177243650

IUPACN-(1-cyclopropylethenyl)-3-methylidenepent-4-en-2-imine
SMILESC=CC(=C)/C(C)=N/C(=C)C1CC1
InChIInChI=1S/C11H15N/c1-5-8(2)9(3)12-10(4)11-6-7-11/h5,11H,1-2,4,6-7H2,3H3/b12-9+
InChIKeyTVUREHDRMQIXSI-FMIVXFBMSA-N
MW161.25 g/mol
LogP3.11
Rot. Bonds4

About N-(1-cyclopropylethenyl)-3-methylidenepent-4-en-2-imine

N-(1-cyclopropylethenyl)-3-methylidenepent-4-en-2-imine (PubChem CID 177243650) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is N-(1-cyclopropylethenyl)-3-methylidenepent-4-en-2-imine.

Molecular Properties

Compound NameN-(1-cyclopropylethenyl)-3-methylidenepent-4-en-2-imine
PubChem CID177243650
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC NameN-(1-cyclopropylethenyl)-3-methylidenepent-4-en-2-imine
SMILESC=CC(=C)/C(C)=N/C(=C)C1CC1
InChIInChI=1S/C11H15N/c1-5-8(2)9(3)12-10(4)11-6-7-11/h5,11H,1-2,4,6-7H2,3H3/b12-9+
InChIKeyTVUREHDRMQIXSI-FMIVXFBMSA-N
XLogP3.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethenyl)-3-methylidenepent-4-en-2-imine?
The IUPAC name of N-(1-cyclopropylethenyl)-3-methylidenepent-4-en-2-imine (CID 177243650) is N-(1-cyclopropylethenyl)-3-methylidenepent-4-en-2-imine.
What is the SMILES notation for N-(1-cyclopropylethenyl)-3-methylidenepent-4-en-2-imine?
The canonical SMILES for N-(1-cyclopropylethenyl)-3-methylidenepent-4-en-2-imine is C=CC(=C)/C(C)=N/C(=C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethenyl)-3-methylidenepent-4-en-2-imine?
The InChIKey is TVUREHDRMQIXSI-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H15N/c1-5-8(2)9(3)12-10(4)11-6-7-11/h5,11H,1-2,4,6-7H2,3H3/b12-9+.
What are the key properties of N-(1-cyclopropylethenyl)-3-methylidenepent-4-en-2-imine?
N-(1-cyclopropylethenyl)-3-methylidenepent-4-en-2-imine has a molecular weight of 161.25 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethenyl)-3-methylidenepent-4-en-2-imine is sourced from PubChem (CID 177243650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).