N-(4-ethoxycyclohepta-1,3,5-trien-1-yl)formamide

C10H13NO2 — CID 142032408

IUPACN-(4-ethoxycyclohepta-1,3,5-trien-1-yl)formamide
SMILESCCOC1=CC=C(NC=O)CC=C1
InChIInChI=1S/C10H13NO2/c1-2-13-10-5-3-4-9(6-7-10)11-8-12/h3,5-8H,2,4H2,1H3,(H,11,12)
InChIKeyZEMQXHDJPCZIQF-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.50
Rot. Bonds4

About N-(4-ethoxycyclohepta-1,3,5-trien-1-yl)formamide

N-(4-ethoxycyclohepta-1,3,5-trien-1-yl)formamide (PubChem CID 142032408) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is N-(4-ethoxycyclohepta-1,3,5-trien-1-yl)formamide.

Molecular Properties

Compound NameN-(4-ethoxycyclohepta-1,3,5-trien-1-yl)formamide
PubChem CID142032408
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC NameN-(4-ethoxycyclohepta-1,3,5-trien-1-yl)formamide
SMILESCCOC1=CC=C(NC=O)CC=C1
InChIInChI=1S/C10H13NO2/c1-2-13-10-5-3-4-9(6-7-10)11-8-12/h3,5-8H,2,4H2,1H3,(H,11,12)
InChIKeyZEMQXHDJPCZIQF-UHFFFAOYSA-N
XLogP1.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E,5E)-N-methyl-5-propan-2-yloxyhepta-3,5-dien-3-amine
CID 89088325
2-ethoxy-N-methylcyclopenta-1,3-dien-1-amine
CID 140101346
3-methoxy-N-methylcyclohepta-1,3,5-trien-1-amine
CID 143303197
N-[(2E,4E)-5-(4-amino-2,7-dimethylcyclohepta-1,3,6-trien-1-yl)oxyhepta-2,4,6-trien-2-yl]formamide;N-methylpropan-2-amine
CID 143307505
6-methoxy-N-methylcyclohepta-1,4,6-trien-1-amine
CID 145660944
N-[(3E,5E)-6-methoxyocta-3,5,7-trien-3-yl]formamide
CID 155071155
N-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]formamide
CID 143108236
N-(4-methoxycyclohepta-1,3,5-trien-1-yl)formamide
CID 143165803
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
N-[(2Z,4Z)-2,6-dimethoxyhexa-2,4-dien-3-yl]formamide
CID 144127057
N-(7-cyclohepta-1,3,6-trien-1-yloxycyclohepta-1,4,6-trien-1-yl)formamide
CID 144201227

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxycyclohepta-1,3,5-trien-1-yl)formamide?
The IUPAC name of N-(4-ethoxycyclohepta-1,3,5-trien-1-yl)formamide (CID 142032408) is N-(4-ethoxycyclohepta-1,3,5-trien-1-yl)formamide.
What is the SMILES notation for N-(4-ethoxycyclohepta-1,3,5-trien-1-yl)formamide?
The canonical SMILES for N-(4-ethoxycyclohepta-1,3,5-trien-1-yl)formamide is CCOC1=CC=C(NC=O)CC=C1.
What is the InChIKey of N-(4-ethoxycyclohepta-1,3,5-trien-1-yl)formamide?
The InChIKey is ZEMQXHDJPCZIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-2-13-10-5-3-4-9(6-7-10)11-8-12/h3,5-8H,2,4H2,1H3,(H,11,12).
What are the key properties of N-(4-ethoxycyclohepta-1,3,5-trien-1-yl)formamide?
N-(4-ethoxycyclohepta-1,3,5-trien-1-yl)formamide has a molecular weight of 179.22 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxycyclohepta-1,3,5-trien-1-yl)formamide is sourced from PubChem (CID 142032408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).