(Z)-N-methoxy-6,7-dihydro-5H-1-benzofuran-4-imine

C9H11NO2 — CID 126997465

IUPAC(Z)-N-methoxy-6,7-dihydro-5H-1-benzofuran-4-imine
SMILESCO/N=C1/CCCc2occc21
InChIInChI=1S/C9H11NO2/c1-11-10-8-3-2-4-9-7(8)5-6-12-9/h5-6H,2-4H2,1H3/b10-8-
InChIKeyNDTYWISRISCCSI-NTMALXAHSA-N
MW165.19 g/mol
LogP1.97
Rot. Bonds1

About (Z)-N-methoxy-6,7-dihydro-5H-1-benzofuran-4-imine

(Z)-N-methoxy-6,7-dihydro-5H-1-benzofuran-4-imine (PubChem CID 126997465) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is (Z)-N-methoxy-6,7-dihydro-5H-1-benzofuran-4-imine.

Molecular Properties

Compound Name(Z)-N-methoxy-6,7-dihydro-5H-1-benzofuran-4-imine
PubChem CID126997465
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name(Z)-N-methoxy-6,7-dihydro-5H-1-benzofuran-4-imine
SMILESCO/N=C1/CCCc2occc21
InChIInChI=1S/C9H11NO2/c1-11-10-8-3-2-4-9-7(8)5-6-12-9/h5-6H,2-4H2,1H3/b10-8-
InChIKeyNDTYWISRISCCSI-NTMALXAHSA-N
XLogP1.97
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-N-methoxy-6,7-dihydro-5H-1-benzofuran-4-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6,7-dihydro-5H-1-benzofuran-4-ylideneamino) cyclopropanecarboxylate
CID 1477741
6,7-dihydro-5H-1-benzofuran-4-one;ethane
CID 91171294
2-(6,7-dihydro-5H-1-benzofuran-4-ylideneamino)benzenesulfonate
CID 138110961
methyl (2Z)-2-(6,7-dihydro-5H-1-benzofuran-4-ylidene)acetate
CID 115466743
5,6-dihydro-4H-cyclopenta[b]furan;ethane
CID 91348632
4-butylidene-6,7-dihydro-5H-1-benzofuran
CID 54518756
5-(3-bromofuran-2-yl)-N-methoxy-2,3-dihydroinden-1-imine
CID 86213594
5-methoxyimino-3-methyl-7,8-dihydro-6H-naphthalen-2-ol
CID 136592041
1-benzofuran-4-amine;6,7-dihydro-5H-1-benzofuran-4-one;(NZ)-N-(6,7-dihydro-5H-1-benzofuran-4-ylidene)hydroxylamine;methanol
CID 172949519
1-N,5-N-dimethoxycyclooctane-1,5-diimine
CID 10750478
(2Z,3Z)-2,3-bis(methoxyimino)cyclohexan-1-one
CID 88532060
(3Z)-3-(6,7-dihydro-5H-1-benzofuran-4-ylidene)propan-1-amine
CID 115467399

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methoxy-6,7-dihydro-5H-1-benzofuran-4-imine?
The IUPAC name of (Z)-N-methoxy-6,7-dihydro-5H-1-benzofuran-4-imine (CID 126997465) is (Z)-N-methoxy-6,7-dihydro-5H-1-benzofuran-4-imine.
What is the SMILES notation for (Z)-N-methoxy-6,7-dihydro-5H-1-benzofuran-4-imine?
The canonical SMILES for (Z)-N-methoxy-6,7-dihydro-5H-1-benzofuran-4-imine is CO/N=C1/CCCc2occc21.
What is the InChIKey of (Z)-N-methoxy-6,7-dihydro-5H-1-benzofuran-4-imine?
The InChIKey is NDTYWISRISCCSI-NTMALXAHSA-N. The full InChI is InChI=1S/C9H11NO2/c1-11-10-8-3-2-4-9-7(8)5-6-12-9/h5-6H,2-4H2,1H3/b10-8-.
What are the key properties of (Z)-N-methoxy-6,7-dihydro-5H-1-benzofuran-4-imine?
(Z)-N-methoxy-6,7-dihydro-5H-1-benzofuran-4-imine has a molecular weight of 165.19 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methoxy-6,7-dihydro-5H-1-benzofuran-4-imine is sourced from PubChem (CID 126997465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).