N-(2-prop-1-enylcyclohepta-1,3,4,6-tetraen-1-yl)methanimine

C11H11N — CID 123203158

IUPACN-(2-prop-1-enylcyclohepta-1,3,4,6-tetraen-1-yl)methanimine
SMILESC=NC1=C(C=CC)C=C=CC=C1
InChIInChI=1S/C11H11N/c1-3-7-10-8-5-4-6-9-11(10)12-2/h3-4,6-9H,2H2,1H3
InChIKeyNVCYVYPUEWECGV-UHFFFAOYSA-N
MW157.22 g/mol
LogP2.80
Rot. Bonds2

About N-(2-prop-1-enylcyclohepta-1,3,4,6-tetraen-1-yl)methanimine

N-(2-prop-1-enylcyclohepta-1,3,4,6-tetraen-1-yl)methanimine (PubChem CID 123203158) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is N-(2-prop-1-enylcyclohepta-1,3,4,6-tetraen-1-yl)methanimine.

Molecular Properties

Compound NameN-(2-prop-1-enylcyclohepta-1,3,4,6-tetraen-1-yl)methanimine
PubChem CID123203158
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC NameN-(2-prop-1-enylcyclohepta-1,3,4,6-tetraen-1-yl)methanimine
SMILESC=NC1=C(C=CC)C=C=CC=C1
InChIInChI=1S/C11H11N/c1-3-7-10-8-5-4-6-9-11(10)12-2/h3-4,6-9H,2H2,1H3
InChIKeyNVCYVYPUEWECGV-UHFFFAOYSA-N
XLogP2.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine
CID 91170852
N-(4-fluoro-2,6,7-trimethylocta-1,3,5,7-tetraen-3-yl)methanimine
CID 123451765
N-(6-fluoro-4-prop-1-enylhepta-3,5-dien-3-yl)methanimine
CID 124034785
N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]methanimine
CID 134441063
N-[4-fluoro-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine
CID 135128525
N-[(2Z,4E)-3-(2-fluoroethyl)hexa-2,4-dien-2-yl]methanimine
CID 137467845
N-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dien-2-yl]methanimine
CID 143420707
N-[(3E,5E)-4-[(E)-2-fluoroethenyl]hepta-1,3,5-trien-3-yl]methanimine
CID 144360493
N-[(3E)-4-fluoro-5-methylhexa-1,3,5-trien-2-yl]methanimine
CID 169683378
N-[(3E,5Z)-4-fluoro-2-methylhepta-3,5-dien-3-yl]methanimine
CID 174171277
2,4,6-Trimethyl-1-azacyclohepta-2,4,6,7-tetraene
CID 71347975
N-[(2E,4Z,6E,7E)-6-ethylidene-9,9,9-trifluoro-4-methylnona-2,4,7-trien-5-yl]methanimine
CID 144320026

Frequently Asked Questions

What is the IUPAC name of N-(2-prop-1-enylcyclohepta-1,3,4,6-tetraen-1-yl)methanimine?
The IUPAC name of N-(2-prop-1-enylcyclohepta-1,3,4,6-tetraen-1-yl)methanimine (CID 123203158) is N-(2-prop-1-enylcyclohepta-1,3,4,6-tetraen-1-yl)methanimine.
What is the SMILES notation for N-(2-prop-1-enylcyclohepta-1,3,4,6-tetraen-1-yl)methanimine?
The canonical SMILES for N-(2-prop-1-enylcyclohepta-1,3,4,6-tetraen-1-yl)methanimine is C=NC1=C(C=CC)C=C=CC=C1.
What is the InChIKey of N-(2-prop-1-enylcyclohepta-1,3,4,6-tetraen-1-yl)methanimine?
The InChIKey is NVCYVYPUEWECGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-3-7-10-8-5-4-6-9-11(10)12-2/h3-4,6-9H,2H2,1H3.
What are the key properties of N-(2-prop-1-enylcyclohepta-1,3,4,6-tetraen-1-yl)methanimine?
N-(2-prop-1-enylcyclohepta-1,3,4,6-tetraen-1-yl)methanimine has a molecular weight of 157.22 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-prop-1-enylcyclohepta-1,3,4,6-tetraen-1-yl)methanimine is sourced from PubChem (CID 123203158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).