3-(1,3-dihydroisoindol-2-yl)-N'-hydroxypropanimidamide

C11H15N3O — CID 76937288

IUPAC3-(1,3-dihydroisoindol-2-yl)-N'-hydroxypropanimidamide
SMILESNC(CCN1Cc2ccccc2C1)=NO
InChIInChI=1S/C11H15N3O/c12-11(13-15)5-6-14-7-9-3-1-2-4-10(9)8-14/h1-4,15H,5-8H2,(H2,12,13)
InChIKeyKTHVPPGUORJNPS-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.14
Rot. Bonds3

About 3-(1,3-dihydroisoindol-2-yl)-N'-hydroxypropanimidamide

3-(1,3-dihydroisoindol-2-yl)-N'-hydroxypropanimidamide (PubChem CID 76937288) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-(1,3-dihydroisoindol-2-yl)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(1,3-dihydroisoindol-2-yl)-N'-hydroxypropanimidamide
PubChem CID76937288
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-(1,3-dihydroisoindol-2-yl)-N'-hydroxypropanimidamide
SMILESNC(CCN1Cc2ccccc2C1)=NO
InChIInChI=1S/C11H15N3O/c12-11(13-15)5-6-14-7-9-3-1-2-4-10(9)8-14/h1-4,15H,5-8H2,(H2,12,13)
InChIKeyKTHVPPGUORJNPS-UHFFFAOYSA-N
XLogP1.14
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propanimidamide
CID 24690721
3-(1,3-dihydroisoindol-2-yl)propanehydrazide
CID 63572405
2-[2-(5,7,12,13-tetrahydrobenzo[d][2]benzazonin-6-yl)ethyl]guanidine
CID 4686823
N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide
CID 43592115
3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 583481
5-(4-benzylpiperazin-1-yl)-N'-hydroxypentanimidamide
CID 76905955
2-(2,3-dihydroindol-1-yl)-N'-hydroxyethanimidamide
CID 24703377
5-[4-(2-fluorophenyl)piperazin-1-yl]-N'-hydroxypentanimidamide
CID 76905940
3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propanethioamide
CID 63152920
2-amino-4-(1,3-dihydroisoindol-2-yl)butanamide
CID 63054697
4-(1,3-dihydroisoindol-2-yl)butan-1-amine
CID 62205174
5-(1,3-dihydroisoindol-2-yl)pentanoic acid
CID 2063858

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydroisoindol-2-yl)-N'-hydroxypropanimidamide?
The IUPAC name of 3-(1,3-dihydroisoindol-2-yl)-N'-hydroxypropanimidamide (CID 76937288) is 3-(1,3-dihydroisoindol-2-yl)-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(1,3-dihydroisoindol-2-yl)-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(1,3-dihydroisoindol-2-yl)-N'-hydroxypropanimidamide is NC(CCN1Cc2ccccc2C1)=NO.
What is the InChIKey of 3-(1,3-dihydroisoindol-2-yl)-N'-hydroxypropanimidamide?
The InChIKey is KTHVPPGUORJNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c12-11(13-15)5-6-14-7-9-3-1-2-4-10(9)8-14/h1-4,15H,5-8H2,(H2,12,13).
What are the key properties of 3-(1,3-dihydroisoindol-2-yl)-N'-hydroxypropanimidamide?
3-(1,3-dihydroisoindol-2-yl)-N'-hydroxypropanimidamide has a molecular weight of 205.26 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydroisoindol-2-yl)-N'-hydroxypropanimidamide is sourced from PubChem (CID 76937288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).