N-[(Z)-1-(7-methyl-7-bicyclo[4.1.0]hepta-2,4-dienyl)prop-1-en-2-yl]ethanimine

C13H17N — CID 138509412

IUPACN-[(Z)-1-(7-methyl-7-bicyclo[4.1.0]hepta-2,4-dienyl)prop-1-en-2-yl]ethanimine
SMILESC/C=N/C(C)=C\C1(C)C2C=CC=CC21
InChIInChI=1S/C13H17N/c1-4-14-10(2)9-13(3)11-7-5-6-8-12(11)13/h4-9,11-12H,1-3H3/b10-9-,14-4+
InChIKeyURDIHCOCSHJHND-WPFBOKFSSA-N
MW187.29 g/mol
LogP3.36
Rot. Bonds2

About N-[(Z)-1-(7-methyl-7-bicyclo[4.1.0]hepta-2,4-dienyl)prop-1-en-2-yl]ethanimine

N-[(Z)-1-(7-methyl-7-bicyclo[4.1.0]hepta-2,4-dienyl)prop-1-en-2-yl]ethanimine (PubChem CID 138509412) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is N-[(Z)-1-(7-methyl-7-bicyclo[4.1.0]hepta-2,4-dienyl)prop-1-en-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-1-(7-methyl-7-bicyclo[4.1.0]hepta-2,4-dienyl)prop-1-en-2-yl]ethanimine
PubChem CID138509412
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC NameN-[(Z)-1-(7-methyl-7-bicyclo[4.1.0]hepta-2,4-dienyl)prop-1-en-2-yl]ethanimine
SMILESC/C=N/C(C)=C\C1(C)C2C=CC=CC21
InChIInChI=1S/C13H17N/c1-4-14-10(2)9-13(3)11-7-5-6-8-12(11)13/h4-9,11-12H,1-3H3/b10-9-,14-4+
InChIKeyURDIHCOCSHJHND-WPFBOKFSSA-N
XLogP3.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.36
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)-1-(7-methyl-7-bicyclo[4.1.0]hepta-2,4-dienyl)prop-1-en-2-yl]ethanimine?
The IUPAC name of N-[(Z)-1-(7-methyl-7-bicyclo[4.1.0]hepta-2,4-dienyl)prop-1-en-2-yl]ethanimine (CID 138509412) is N-[(Z)-1-(7-methyl-7-bicyclo[4.1.0]hepta-2,4-dienyl)prop-1-en-2-yl]ethanimine.
What is the SMILES notation for N-[(Z)-1-(7-methyl-7-bicyclo[4.1.0]hepta-2,4-dienyl)prop-1-en-2-yl]ethanimine?
The canonical SMILES for N-[(Z)-1-(7-methyl-7-bicyclo[4.1.0]hepta-2,4-dienyl)prop-1-en-2-yl]ethanimine is C/C=N/C(C)=C\C1(C)C2C=CC=CC21.
What is the InChIKey of N-[(Z)-1-(7-methyl-7-bicyclo[4.1.0]hepta-2,4-dienyl)prop-1-en-2-yl]ethanimine?
The InChIKey is URDIHCOCSHJHND-WPFBOKFSSA-N. The full InChI is InChI=1S/C13H17N/c1-4-14-10(2)9-13(3)11-7-5-6-8-12(11)13/h4-9,11-12H,1-3H3/b10-9-,14-4+.
What are the key properties of N-[(Z)-1-(7-methyl-7-bicyclo[4.1.0]hepta-2,4-dienyl)prop-1-en-2-yl]ethanimine?
N-[(Z)-1-(7-methyl-7-bicyclo[4.1.0]hepta-2,4-dienyl)prop-1-en-2-yl]ethanimine has a molecular weight of 187.29 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(7-methyl-7-bicyclo[4.1.0]hepta-2,4-dienyl)prop-1-en-2-yl]ethanimine is sourced from PubChem (CID 138509412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).