(4E)-4-(2-ethoxyethylidene)azepane

C10H19NO — CID 115013636

IUPAC(4E)-4-(2-ethoxyethylidene)azepane
SMILESCCOC/C=C1\CCCNCC1
InChIInChI=1S/C10H19NO/c1-2-12-9-6-10-4-3-7-11-8-5-10/h6,11H,2-5,7-9H2,1H3/b10-6+
InChIKeyDDSSLSQHXBFZHY-UXBLZVDNSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds3

About (4E)-4-(2-ethoxyethylidene)azepane

(4E)-4-(2-ethoxyethylidene)azepane (PubChem CID 115013636) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (4E)-4-(2-ethoxyethylidene)azepane.

Molecular Properties

Compound Name(4E)-4-(2-ethoxyethylidene)azepane
PubChem CID115013636
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(4E)-4-(2-ethoxyethylidene)azepane
SMILESCCOC/C=C1\CCCNCC1
InChIInChI=1S/C10H19NO/c1-2-12-9-6-10-4-3-7-11-8-5-10/h6,11H,2-5,7-9H2,1H3/b10-6+
InChIKeyDDSSLSQHXBFZHY-UXBLZVDNSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2E)-2-(azepan-4-ylidene)acetate
CID 83846859
(4E)-4-[(3E)-3-methoxyhexa-3,5-dien-2-ylidene]azepane
CID 143148144
(3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene
CID 144515525
5-ethoxy-4-methyl-N-propylpent-3-en-1-amine
CID 79597967
4-methyl-5-propoxy-N-propylpent-3-en-1-amine
CID 79598097
5-ethoxy-N-ethyl-4-methylpent-3-en-1-amine
CID 79598595
N-ethyl-4-methyl-5-propoxypent-3-en-1-amine
CID 79598725
(4Z)-4-[(5-methyloxolan-2-yl)methylidene]azepane
CID 103143070
(4Z)-4-(oxolan-2-ylmethylidene)azepane
CID 103983692
4-(Oxolan-3-ylidene)azepane
CID 103983719
4-(1-Methoxypropan-2-ylidene)azepane
CID 104863211
4-(Oxan-3-ylidene)azepane
CID 107138035

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(2-ethoxyethylidene)azepane?
The IUPAC name of (4E)-4-(2-ethoxyethylidene)azepane (CID 115013636) is (4E)-4-(2-ethoxyethylidene)azepane.
What is the SMILES notation for (4E)-4-(2-ethoxyethylidene)azepane?
The canonical SMILES for (4E)-4-(2-ethoxyethylidene)azepane is CCOC/C=C1\CCCNCC1.
What is the InChIKey of (4E)-4-(2-ethoxyethylidene)azepane?
The InChIKey is DDSSLSQHXBFZHY-UXBLZVDNSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-12-9-6-10-4-3-7-11-8-5-10/h6,11H,2-5,7-9H2,1H3/b10-6+.
What are the key properties of (4E)-4-(2-ethoxyethylidene)azepane?
(4E)-4-(2-ethoxyethylidene)azepane has a molecular weight of 169.27 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(2-ethoxyethylidene)azepane is sourced from PubChem (CID 115013636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).