N-cyclohexa-2,4-dien-1-ylaniline

C12H13N — CID 12937626

IUPACN-cyclohexa-2,4-dien-1-ylaniline
SMILESC1=CCC(Nc2ccccc2)C=C1
InChIInChI=1S/C12H13N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-9,12-13H,10H2
InChIKeyANEBMVONCYUSJZ-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.98
Rot. Bonds2

About N-cyclohexa-2,4-dien-1-ylaniline

N-cyclohexa-2,4-dien-1-ylaniline (PubChem CID 12937626) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is N-cyclohexa-2,4-dien-1-ylaniline.

Molecular Properties

Compound NameN-cyclohexa-2,4-dien-1-ylaniline
PubChem CID12937626
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC NameN-cyclohexa-2,4-dien-1-ylaniline
SMILESC1=CCC(Nc2ccccc2)C=C1
InChIInChI=1S/C12H13N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-9,12-13H,10H2
InChIKeyANEBMVONCYUSJZ-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-2,4-dien-1-ylaniline?
The IUPAC name of N-cyclohexa-2,4-dien-1-ylaniline (CID 12937626) is N-cyclohexa-2,4-dien-1-ylaniline.
What is the SMILES notation for N-cyclohexa-2,4-dien-1-ylaniline?
The canonical SMILES for N-cyclohexa-2,4-dien-1-ylaniline is C1=CCC(Nc2ccccc2)C=C1.
What is the InChIKey of N-cyclohexa-2,4-dien-1-ylaniline?
The InChIKey is ANEBMVONCYUSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-9,12-13H,10H2.
What are the key properties of N-cyclohexa-2,4-dien-1-ylaniline?
N-cyclohexa-2,4-dien-1-ylaniline has a molecular weight of 171.24 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-2,4-dien-1-ylaniline is sourced from PubChem (CID 12937626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).