N-[(Z)-3-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyprop-1-enyl]prop-2-en-1-imine

C14H17NO — CID 142867304

IUPACN-[(Z)-3-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyprop-1-enyl]prop-2-en-1-imine
SMILESC=C/C=N/C=C\COC1=CC=C(C)C=CC1
InChIInChI=1S/C14H17NO/c1-3-10-15-11-5-12-16-14-7-4-6-13(2)8-9-14/h3-6,8-11H,1,7,12H2,2H3/b11-5-,15-10+
InChIKeyGJFDTZGAESEXKQ-GMQVXISZSA-N
MW215.30 g/mol
LogP3.56
Rot. Bonds5

About N-[(Z)-3-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyprop-1-enyl]prop-2-en-1-imine

N-[(Z)-3-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyprop-1-enyl]prop-2-en-1-imine (PubChem CID 142867304) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is N-[(Z)-3-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyprop-1-enyl]prop-2-en-1-imine.

Molecular Properties

Compound NameN-[(Z)-3-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyprop-1-enyl]prop-2-en-1-imine
PubChem CID142867304
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC NameN-[(Z)-3-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyprop-1-enyl]prop-2-en-1-imine
SMILESC=C/C=N/C=C\COC1=CC=C(C)C=CC1
InChIInChI=1S/C14H17NO/c1-3-10-15-11-5-12-16-14-7-4-6-13(2)8-9-14/h3-6,8-11H,1,7,12H2,2H3/b11-5-,15-10+
InChIKeyGJFDTZGAESEXKQ-GMQVXISZSA-N
XLogP3.56
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-3-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyprop-1-enyl]prop-2-en-1-imine?
The IUPAC name of N-[(Z)-3-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyprop-1-enyl]prop-2-en-1-imine (CID 142867304) is N-[(Z)-3-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyprop-1-enyl]prop-2-en-1-imine.
What is the SMILES notation for N-[(Z)-3-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyprop-1-enyl]prop-2-en-1-imine?
The canonical SMILES for N-[(Z)-3-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyprop-1-enyl]prop-2-en-1-imine is C=C/C=N/C=C\COC1=CC=C(C)C=CC1.
What is the InChIKey of N-[(Z)-3-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyprop-1-enyl]prop-2-en-1-imine?
The InChIKey is GJFDTZGAESEXKQ-GMQVXISZSA-N. The full InChI is InChI=1S/C14H17NO/c1-3-10-15-11-5-12-16-14-7-4-6-13(2)8-9-14/h3-6,8-11H,1,7,12H2,2H3/b11-5-,15-10+.
What are the key properties of N-[(Z)-3-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyprop-1-enyl]prop-2-en-1-imine?
N-[(Z)-3-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyprop-1-enyl]prop-2-en-1-imine has a molecular weight of 215.30 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyprop-1-enyl]prop-2-en-1-imine is sourced from PubChem (CID 142867304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).