N-[(Z)-but-2-en-2-yl]-6-methylidenecyclohexa-2,4-dien-1-imine

C11H13N — CID 130253236

IUPACN-[(Z)-but-2-en-2-yl]-6-methylidenecyclohexa-2,4-dien-1-imine
SMILESC=C1C=CC=C/C1=N\C(C)=C/C
InChIInChI=1S/C11H13N/c1-4-10(3)12-11-8-6-5-7-9(11)2/h4-8H,2H2,1,3H3/b10-4-,12-11+
InChIKeyUGYGCYGUHIDEMB-QUBWUXJOSA-N
MW159.23 g/mol
LogP3.03
Rot. Bonds1

About N-[(Z)-but-2-en-2-yl]-6-methylidenecyclohexa-2,4-dien-1-imine

N-[(Z)-but-2-en-2-yl]-6-methylidenecyclohexa-2,4-dien-1-imine (PubChem CID 130253236) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is N-[(Z)-but-2-en-2-yl]-6-methylidenecyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound NameN-[(Z)-but-2-en-2-yl]-6-methylidenecyclohexa-2,4-dien-1-imine
PubChem CID130253236
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC NameN-[(Z)-but-2-en-2-yl]-6-methylidenecyclohexa-2,4-dien-1-imine
SMILESC=C1C=CC=C/C1=N\C(C)=C/C
InChIInChI=1S/C11H13N/c1-4-10(3)12-11-8-6-5-7-9(11)2/h4-8H,2H2,1,3H3/b10-4-,12-11+
InChIKeyUGYGCYGUHIDEMB-QUBWUXJOSA-N
XLogP3.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 53.03
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 N-[(Z)-but-2-en-2-yl]-6-methylidenecyclohexa-2,4-dien-1-imine?
The IUPAC name of N-[(Z)-but-2-en-2-yl]-6-methylidenecyclohexa-2,4-dien-1-imine (CID 130253236) is N-[(Z)-but-2-en-2-yl]-6-methylidenecyclohexa-2,4-dien-1-imine.
What is the SMILES notation for N-[(Z)-but-2-en-2-yl]-6-methylidenecyclohexa-2,4-dien-1-imine?
The canonical SMILES for N-[(Z)-but-2-en-2-yl]-6-methylidenecyclohexa-2,4-dien-1-imine is C=C1C=CC=C/C1=N\C(C)=C/C.
What is the InChIKey of N-[(Z)-but-2-en-2-yl]-6-methylidenecyclohexa-2,4-dien-1-imine?
The InChIKey is UGYGCYGUHIDEMB-QUBWUXJOSA-N. The full InChI is InChI=1S/C11H13N/c1-4-10(3)12-11-8-6-5-7-9(11)2/h4-8H,2H2,1,3H3/b10-4-,12-11+.
What are the key properties of N-[(Z)-but-2-en-2-yl]-6-methylidenecyclohexa-2,4-dien-1-imine?
N-[(Z)-but-2-en-2-yl]-6-methylidenecyclohexa-2,4-dien-1-imine has a molecular weight of 159.23 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-en-2-yl]-6-methylidenecyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 130253236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).