N-[(2Z,4E)-deca-2,4,6-trien-4-yl]formamide

C11H17NO — CID 146210139

IUPACN-[(2Z,4E)-deca-2,4,6-trien-4-yl]formamide
SMILESC/C=C\C(=C/C=CCCC)NC=O
InChIInChI=1S/C11H17NO/c1-3-5-6-7-9-11(8-4-2)12-10-13/h4,6-10H,3,5H2,1-2H3,(H,12,13)/b7-6?,8-4-,11-9+
InChIKeyZYFRLSMSQGTGOO-YRWISLSGSA-N
MW179.26 g/mol
LogP2.55
Rot. Bonds6

About N-[(2Z,4E)-deca-2,4,6-trien-4-yl]formamide

N-[(2Z,4E)-deca-2,4,6-trien-4-yl]formamide (PubChem CID 146210139) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-[(2Z,4E)-deca-2,4,6-trien-4-yl]formamide.

Molecular Properties

Compound NameN-[(2Z,4E)-deca-2,4,6-trien-4-yl]formamide
PubChem CID146210139
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-[(2Z,4E)-deca-2,4,6-trien-4-yl]formamide
SMILESC/C=C\C(=C/C=CCCC)NC=O
InChIInChI=1S/C11H17NO/c1-3-5-6-7-9-11(8-4-2)12-10-13/h4,6-10H,3,5H2,1-2H3,(H,12,13)/b7-6?,8-4-,11-9+
InChIKeyZYFRLSMSQGTGOO-YRWISLSGSA-N
XLogP2.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4E)-deca-2,4,6-trien-4-yl]formamide?
The IUPAC name of N-[(2Z,4E)-deca-2,4,6-trien-4-yl]formamide (CID 146210139) is N-[(2Z,4E)-deca-2,4,6-trien-4-yl]formamide.
What is the SMILES notation for N-[(2Z,4E)-deca-2,4,6-trien-4-yl]formamide?
The canonical SMILES for N-[(2Z,4E)-deca-2,4,6-trien-4-yl]formamide is C/C=C\C(=C/C=CCCC)NC=O.
What is the InChIKey of N-[(2Z,4E)-deca-2,4,6-trien-4-yl]formamide?
The InChIKey is ZYFRLSMSQGTGOO-YRWISLSGSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-5-6-7-9-11(8-4-2)12-10-13/h4,6-10H,3,5H2,1-2H3,(H,12,13)/b7-6?,8-4-,11-9+.
What are the key properties of N-[(2Z,4E)-deca-2,4,6-trien-4-yl]formamide?
N-[(2Z,4E)-deca-2,4,6-trien-4-yl]formamide has a molecular weight of 179.26 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4E)-deca-2,4,6-trien-4-yl]formamide is sourced from PubChem (CID 146210139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).