(E)-N-[(Z)-but-2-en-2-yl]-2-methylidenepent-3-en-1-imine

C10H15N — CID 134503996

IUPAC(E)-N-[(Z)-but-2-en-2-yl]-2-methylidenepent-3-en-1-imine
SMILESC=C(/C=C/C)/C=N/C(C)=C\C
InChIInChI=1S/C10H15N/c1-5-7-9(3)8-11-10(4)6-2/h5-8H,3H2,1-2,4H3/b7-5+,10-6-,11-8+
InChIKeySENJVADUUJAENR-BWKNAOSVSA-N
MW149.24 g/mol
LogP3.11
Rot. Bonds3

About (E)-N-[(Z)-but-2-en-2-yl]-2-methylidenepent-3-en-1-imine

(E)-N-[(Z)-but-2-en-2-yl]-2-methylidenepent-3-en-1-imine (PubChem CID 134503996) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (E)-N-[(Z)-but-2-en-2-yl]-2-methylidenepent-3-en-1-imine.

Molecular Properties

Compound Name(E)-N-[(Z)-but-2-en-2-yl]-2-methylidenepent-3-en-1-imine
PubChem CID134503996
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(E)-N-[(Z)-but-2-en-2-yl]-2-methylidenepent-3-en-1-imine
SMILESC=C(/C=C/C)/C=N/C(C)=C\C
InChIInChI=1S/C10H15N/c1-5-7-9(3)8-11-10(4)6-2/h5-8H,3H2,1-2,4H3/b7-5+,10-6-,11-8+
InChIKeySENJVADUUJAENR-BWKNAOSVSA-N
XLogP3.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
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 (E)-N-[(Z)-but-2-en-2-yl]-2-methylidenepent-3-en-1-imine?
The IUPAC name of (E)-N-[(Z)-but-2-en-2-yl]-2-methylidenepent-3-en-1-imine (CID 134503996) is (E)-N-[(Z)-but-2-en-2-yl]-2-methylidenepent-3-en-1-imine.
What is the SMILES notation for (E)-N-[(Z)-but-2-en-2-yl]-2-methylidenepent-3-en-1-imine?
The canonical SMILES for (E)-N-[(Z)-but-2-en-2-yl]-2-methylidenepent-3-en-1-imine is C=C(/C=C/C)/C=N/C(C)=C\C.
What is the InChIKey of (E)-N-[(Z)-but-2-en-2-yl]-2-methylidenepent-3-en-1-imine?
The InChIKey is SENJVADUUJAENR-BWKNAOSVSA-N. The full InChI is InChI=1S/C10H15N/c1-5-7-9(3)8-11-10(4)6-2/h5-8H,3H2,1-2,4H3/b7-5+,10-6-,11-8+.
What are the key properties of (E)-N-[(Z)-but-2-en-2-yl]-2-methylidenepent-3-en-1-imine?
(E)-N-[(Z)-but-2-en-2-yl]-2-methylidenepent-3-en-1-imine has a molecular weight of 149.24 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(Z)-but-2-en-2-yl]-2-methylidenepent-3-en-1-imine is sourced from PubChem (CID 134503996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).