(Z)-2-(6-methylnaphthalen-2-yl)-N-[(Z)-prop-1-enyl]but-2-en-1-imine

C18H19N — CID 143688490

IUPAC(Z)-2-(6-methylnaphthalen-2-yl)-N-[(Z)-prop-1-enyl]but-2-en-1-imine
SMILESC/C=C\N=C\C(=C/C)c1ccc2cc(C)ccc2c1
InChIInChI=1S/C18H19N/c1-4-10-19-13-15(5-2)17-9-8-16-11-14(3)6-7-18(16)12-17/h4-13H,1-3H3/b10-4-,15-5+,19-13+
InChIKeyKRLBEDAYERIFHU-MXFRRHFVSA-N
MW249.36 g/mol
LogP5.16
Rot. Bonds3

About (Z)-2-(6-methylnaphthalen-2-yl)-N-[(Z)-prop-1-enyl]but-2-en-1-imine

(Z)-2-(6-methylnaphthalen-2-yl)-N-[(Z)-prop-1-enyl]but-2-en-1-imine (PubChem CID 143688490) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is (Z)-2-(6-methylnaphthalen-2-yl)-N-[(Z)-prop-1-enyl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-(6-methylnaphthalen-2-yl)-N-[(Z)-prop-1-enyl]but-2-en-1-imine
PubChem CID143688490
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name(Z)-2-(6-methylnaphthalen-2-yl)-N-[(Z)-prop-1-enyl]but-2-en-1-imine
SMILESC/C=C\N=C\C(=C/C)c1ccc2cc(C)ccc2c1
InChIInChI=1S/C18H19N/c1-4-10-19-13-15(5-2)17-9-8-16-11-14(3)6-7-18(16)12-17/h4-13H,1-3H3/b10-4-,15-5+,19-13+
InChIKeyKRLBEDAYERIFHU-MXFRRHFVSA-N
XLogP5.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.36
LogP ≤ 55.16
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-(6-methylnaphthalen-2-yl)-N-[(Z)-prop-1-enyl]but-2-en-1-imine?
The IUPAC name of (Z)-2-(6-methylnaphthalen-2-yl)-N-[(Z)-prop-1-enyl]but-2-en-1-imine (CID 143688490) is (Z)-2-(6-methylnaphthalen-2-yl)-N-[(Z)-prop-1-enyl]but-2-en-1-imine.
What is the SMILES notation for (Z)-2-(6-methylnaphthalen-2-yl)-N-[(Z)-prop-1-enyl]but-2-en-1-imine?
The canonical SMILES for (Z)-2-(6-methylnaphthalen-2-yl)-N-[(Z)-prop-1-enyl]but-2-en-1-imine is C/C=C\N=C\C(=C/C)c1ccc2cc(C)ccc2c1.
What is the InChIKey of (Z)-2-(6-methylnaphthalen-2-yl)-N-[(Z)-prop-1-enyl]but-2-en-1-imine?
The InChIKey is KRLBEDAYERIFHU-MXFRRHFVSA-N. The full InChI is InChI=1S/C18H19N/c1-4-10-19-13-15(5-2)17-9-8-16-11-14(3)6-7-18(16)12-17/h4-13H,1-3H3/b10-4-,15-5+,19-13+.
What are the key properties of (Z)-2-(6-methylnaphthalen-2-yl)-N-[(Z)-prop-1-enyl]but-2-en-1-imine?
(Z)-2-(6-methylnaphthalen-2-yl)-N-[(Z)-prop-1-enyl]but-2-en-1-imine has a molecular weight of 249.36 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(6-methylnaphthalen-2-yl)-N-[(Z)-prop-1-enyl]but-2-en-1-imine is sourced from PubChem (CID 143688490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).