N-[(2E,4Z,6E)-5-cyano-4-(2-methoxyethoxy)nona-2,4,6-trien-2-yl]formamide

C14H20N2O3 — CID 134475928

IUPACN-[(2E,4Z,6E)-5-cyano-4-(2-methoxyethoxy)nona-2,4,6-trien-2-yl]formamide
SMILESCC/C=C/C(C#N)=C(\C=C(/C)NC=O)OCCOC
InChIInChI=1S/C14H20N2O3/c1-4-5-6-13(10-15)14(19-8-7-18-3)9-12(2)16-11-17/h5-6,9,11H,4,7-8H2,1-3H3,(H,16,17)/b6-5+,12-9+,14-13-
InChIKeyBLAGSEJQSGJFRX-LFVIEXCVSA-N
MW264.32 g/mol
LogP2.04
Rot. Bonds9

About N-[(2E,4Z,6E)-5-cyano-4-(2-methoxyethoxy)nona-2,4,6-trien-2-yl]formamide

N-[(2E,4Z,6E)-5-cyano-4-(2-methoxyethoxy)nona-2,4,6-trien-2-yl]formamide (PubChem CID 134475928) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[(2E,4Z,6E)-5-cyano-4-(2-methoxyethoxy)nona-2,4,6-trien-2-yl]formamide.

Molecular Properties

Compound NameN-[(2E,4Z,6E)-5-cyano-4-(2-methoxyethoxy)nona-2,4,6-trien-2-yl]formamide
PubChem CID134475928
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[(2E,4Z,6E)-5-cyano-4-(2-methoxyethoxy)nona-2,4,6-trien-2-yl]formamide
SMILESCC/C=C/C(C#N)=C(\C=C(/C)NC=O)OCCOC
InChIInChI=1S/C14H20N2O3/c1-4-5-6-13(10-15)14(19-8-7-18-3)9-12(2)16-11-17/h5-6,9,11H,4,7-8H2,1-3H3,(H,16,17)/b6-5+,12-9+,14-13-
InChIKeyBLAGSEJQSGJFRX-LFVIEXCVSA-N
XLogP2.04
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(2E,4E)-5-(4-amino-2,7-dimethylcyclohepta-1,3,6-trien-1-yl)oxyhepta-2,4,6-trien-2-yl]formamide
CID 143307506

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z,6E)-5-cyano-4-(2-methoxyethoxy)nona-2,4,6-trien-2-yl]formamide?
The IUPAC name of N-[(2E,4Z,6E)-5-cyano-4-(2-methoxyethoxy)nona-2,4,6-trien-2-yl]formamide (CID 134475928) is N-[(2E,4Z,6E)-5-cyano-4-(2-methoxyethoxy)nona-2,4,6-trien-2-yl]formamide.
What is the SMILES notation for N-[(2E,4Z,6E)-5-cyano-4-(2-methoxyethoxy)nona-2,4,6-trien-2-yl]formamide?
The canonical SMILES for N-[(2E,4Z,6E)-5-cyano-4-(2-methoxyethoxy)nona-2,4,6-trien-2-yl]formamide is CC/C=C/C(C#N)=C(\C=C(/C)NC=O)OCCOC.
What is the InChIKey of N-[(2E,4Z,6E)-5-cyano-4-(2-methoxyethoxy)nona-2,4,6-trien-2-yl]formamide?
The InChIKey is BLAGSEJQSGJFRX-LFVIEXCVSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-5-6-13(10-15)14(19-8-7-18-3)9-12(2)16-11-17/h5-6,9,11H,4,7-8H2,1-3H3,(H,16,17)/b6-5+,12-9+,14-13-.
What are the key properties of N-[(2E,4Z,6E)-5-cyano-4-(2-methoxyethoxy)nona-2,4,6-trien-2-yl]formamide?
N-[(2E,4Z,6E)-5-cyano-4-(2-methoxyethoxy)nona-2,4,6-trien-2-yl]formamide has a molecular weight of 264.32 g/mol, XLogP of 2.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z,6E)-5-cyano-4-(2-methoxyethoxy)nona-2,4,6-trien-2-yl]formamide is sourced from PubChem (CID 134475928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).