3,4-dihydro-1H-isochromene-1-carboximidamide

C10H12N2O — CID 75480377

IUPAC3,4-dihydro-1H-isochromene-1-carboximidamide
SMILES[H]/N=C(\N)C1OCCc2ccccc21
InChIInChI=1S/C10H12N2O/c11-10(12)9-8-4-2-1-3-7(8)5-6-13-9/h1-4,9H,5-6H2,(H3,11,12)
InChIKeyVIDDUGYQLQPMOP-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.24
Rot. Bonds1

About 3,4-dihydro-1H-isochromene-1-carboximidamide

3,4-dihydro-1H-isochromene-1-carboximidamide (PubChem CID 75480377) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 3,4-dihydro-1H-isochromene-1-carboximidamide.

Molecular Properties

Compound Name3,4-dihydro-1H-isochromene-1-carboximidamide
PubChem CID75480377
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name3,4-dihydro-1H-isochromene-1-carboximidamide
SMILES[H]/N=C(\N)C1OCCc2ccccc21
InChIInChI=1S/C10H12N2O/c11-10(12)9-8-4-2-1-3-7(8)5-6-13-9/h1-4,9H,5-6H2,(H3,11,12)
InChIKeyVIDDUGYQLQPMOP-UHFFFAOYSA-N
XLogP1.24
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3,4-dihydro-1H-isochromene-1-carboximidamide 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

1-(3,4-dihydro-1H-isochromen-1-yl)-2,2-dimethylpropan-1-one
CID 105098669
1-(3,4-dihydro-1H-isochromen-1-yl)prop-2-yn-1-one
CID 105108198
1,2,3,4-tetrahydronaphthalene-1-carboximidamide;hydrochloride
CID 71755662
ethyl 3,4-dihydro-1H-isochromene-1-carboxylate
CID 12511862
propyl 3,4-dihydro-1H-isochromene-1-carboxylate
CID 55026448
N-phenyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 44718206
[(E)-1-(3,4-dihydro-1H-isochromen-1-yl)ethylideneamino]thiourea
CID 54602926
N-(2-aminophenyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 60983878
3,4-dihydro-1H-isochromen-1-yl(morpholin-4-yl)methanone
CID 64592075
(1R)-1-[(1R)-3,4-dihydro-1H-isochromen-1-yl]propan-1-amine
CID 919561
1-(3,4-dihydro-1H-isochromen-1-yl)propan-1-amine
CID 546897
1-(3,4-dihydro-1H-isochromen-1-yl)hex-4-yn-1-one
CID 105129051

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isochromene-1-carboximidamide?
The IUPAC name of 3,4-dihydro-1H-isochromene-1-carboximidamide (CID 75480377) is 3,4-dihydro-1H-isochromene-1-carboximidamide.
What is the SMILES notation for 3,4-dihydro-1H-isochromene-1-carboximidamide?
The canonical SMILES for 3,4-dihydro-1H-isochromene-1-carboximidamide is [H]/N=C(\N)C1OCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-1H-isochromene-1-carboximidamide?
The InChIKey is VIDDUGYQLQPMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c11-10(12)9-8-4-2-1-3-7(8)5-6-13-9/h1-4,9H,5-6H2,(H3,11,12).
What are the key properties of 3,4-dihydro-1H-isochromene-1-carboximidamide?
3,4-dihydro-1H-isochromene-1-carboximidamide has a molecular weight of 176.22 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isochromene-1-carboximidamide is sourced from PubChem (CID 75480377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).