N-[(3Z)-penta-1,3-dien-2-yl]-4-phenylaniline

C17H17N — CID 144591931

IUPACN-[(3Z)-penta-1,3-dien-2-yl]-4-phenylaniline
SMILESC=C(/C=C\C)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H17N/c1-3-7-14(2)18-17-12-10-16(11-13-17)15-8-5-4-6-9-15/h3-13,18H,2H2,1H3/b7-3-
InChIKeyMOGVSZMUFNXKTA-CLTKARDFSA-N
MW235.33 g/mol
LogP4.86
Rot. Bonds4

About N-[(3Z)-penta-1,3-dien-2-yl]-4-phenylaniline

N-[(3Z)-penta-1,3-dien-2-yl]-4-phenylaniline (PubChem CID 144591931) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(3Z)-penta-1,3-dien-2-yl]-4-phenylaniline.

Molecular Properties

Compound NameN-[(3Z)-penta-1,3-dien-2-yl]-4-phenylaniline
PubChem CID144591931
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC NameN-[(3Z)-penta-1,3-dien-2-yl]-4-phenylaniline
SMILESC=C(/C=C\C)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H17N/c1-3-7-14(2)18-17-12-10-16(11-13-17)15-8-5-4-6-9-15/h3-13,18H,2H2,1H3/b7-3-
InChIKeyMOGVSZMUFNXKTA-CLTKARDFSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-penta-1,3-dien-2-yl]-4-phenylaniline?
The IUPAC name of N-[(3Z)-penta-1,3-dien-2-yl]-4-phenylaniline (CID 144591931) is N-[(3Z)-penta-1,3-dien-2-yl]-4-phenylaniline.
What is the SMILES notation for N-[(3Z)-penta-1,3-dien-2-yl]-4-phenylaniline?
The canonical SMILES for N-[(3Z)-penta-1,3-dien-2-yl]-4-phenylaniline is C=C(/C=C\C)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(3Z)-penta-1,3-dien-2-yl]-4-phenylaniline?
The InChIKey is MOGVSZMUFNXKTA-CLTKARDFSA-N. The full InChI is InChI=1S/C17H17N/c1-3-7-14(2)18-17-12-10-16(11-13-17)15-8-5-4-6-9-15/h3-13,18H,2H2,1H3/b7-3-.
What are the key properties of N-[(3Z)-penta-1,3-dien-2-yl]-4-phenylaniline?
N-[(3Z)-penta-1,3-dien-2-yl]-4-phenylaniline has a molecular weight of 235.33 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-penta-1,3-dien-2-yl]-4-phenylaniline is sourced from PubChem (CID 144591931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).