N-[(3E,5Z)-7-cyclohex-2-en-1-ylhepta-1,3,5-trien-4-yl]formamide

C14H19NO — CID 89215140

IUPACN-[(3E,5Z)-7-cyclohex-2-en-1-ylhepta-1,3,5-trien-4-yl]formamide
SMILESC=C/C=C(\C=C/CC1C=CCCC1)NC=O
InChIInChI=1S/C14H19NO/c1-2-7-14(15-12-16)11-6-10-13-8-4-3-5-9-13/h2,4,6-8,11-13H,1,3,5,9-10H2,(H,15,16)/b11-6-,14-7+
InChIKeyQDFYNZKPMZYXPV-DKSOOILDSA-N
MW217.31 g/mol
LogP3.10
Rot. Bonds6

About N-[(3E,5Z)-7-cyclohex-2-en-1-ylhepta-1,3,5-trien-4-yl]formamide

N-[(3E,5Z)-7-cyclohex-2-en-1-ylhepta-1,3,5-trien-4-yl]formamide (PubChem CID 89215140) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-[(3E,5Z)-7-cyclohex-2-en-1-ylhepta-1,3,5-trien-4-yl]formamide.

Molecular Properties

Compound NameN-[(3E,5Z)-7-cyclohex-2-en-1-ylhepta-1,3,5-trien-4-yl]formamide
PubChem CID89215140
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-[(3E,5Z)-7-cyclohex-2-en-1-ylhepta-1,3,5-trien-4-yl]formamide
SMILESC=C/C=C(\C=C/CC1C=CCCC1)NC=O
InChIInChI=1S/C14H19NO/c1-2-7-14(15-12-16)11-6-10-13-8-4-3-5-9-13/h2,4,6-8,11-13H,1,3,5,9-10H2,(H,15,16)/b11-6-,14-7+
InChIKeyQDFYNZKPMZYXPV-DKSOOILDSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3E,5Z)-7-cyclohex-2-en-1-ylhepta-1,3,5-trien-4-yl]formamide?
The IUPAC name of N-[(3E,5Z)-7-cyclohex-2-en-1-ylhepta-1,3,5-trien-4-yl]formamide (CID 89215140) is N-[(3E,5Z)-7-cyclohex-2-en-1-ylhepta-1,3,5-trien-4-yl]formamide.
What is the SMILES notation for N-[(3E,5Z)-7-cyclohex-2-en-1-ylhepta-1,3,5-trien-4-yl]formamide?
The canonical SMILES for N-[(3E,5Z)-7-cyclohex-2-en-1-ylhepta-1,3,5-trien-4-yl]formamide is C=C/C=C(\C=C/CC1C=CCCC1)NC=O.
What is the InChIKey of N-[(3E,5Z)-7-cyclohex-2-en-1-ylhepta-1,3,5-trien-4-yl]formamide?
The InChIKey is QDFYNZKPMZYXPV-DKSOOILDSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-7-14(15-12-16)11-6-10-13-8-4-3-5-9-13/h2,4,6-8,11-13H,1,3,5,9-10H2,(H,15,16)/b11-6-,14-7+.
What are the key properties of N-[(3E,5Z)-7-cyclohex-2-en-1-ylhepta-1,3,5-trien-4-yl]formamide?
N-[(3E,5Z)-7-cyclohex-2-en-1-ylhepta-1,3,5-trien-4-yl]formamide has a molecular weight of 217.31 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5Z)-7-cyclohex-2-en-1-ylhepta-1,3,5-trien-4-yl]formamide is sourced from PubChem (CID 89215140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).