(1S)-N',1-dihydroxy-2,3-dihydro-1H-indene-4-carboximidamide

C10H12N2O2 — CID 58344597

IUPAC(1S)-N',1-dihydroxy-2,3-dihydro-1H-indene-4-carboximidamide
SMILESN/C(=N/O)c1cccc2c1CC[C@@H]2O
InChIInChI=1S/C10H12N2O2/c11-10(12-14)8-3-1-2-7-6(8)4-5-9(7)13/h1-3,9,13-14H,4-5H2,(H2,11,12)/t9-/m0/s1
InChIKeyDZCSWIQGBIAWSF-VIFPVBQESA-N
MW192.22 g/mol
LogP0.76
Rot. Bonds1

About (1S)-N',1-dihydroxy-2,3-dihydro-1H-indene-4-carboximidamide

(1S)-N',1-dihydroxy-2,3-dihydro-1H-indene-4-carboximidamide (PubChem CID 58344597) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (1S)-N',1-dihydroxy-2,3-dihydro-1H-indene-4-carboximidamide.

Molecular Properties

Compound Name(1S)-N',1-dihydroxy-2,3-dihydro-1H-indene-4-carboximidamide
PubChem CID58344597
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(1S)-N',1-dihydroxy-2,3-dihydro-1H-indene-4-carboximidamide
SMILESN/C(=N/O)c1cccc2c1CC[C@@H]2O
InChIInChI=1S/C10H12N2O2/c11-10(12-14)8-3-1-2-7-6(8)4-5-9(7)13/h1-3,9,13-14H,4-5H2,(H2,11,12)/t9-/m0/s1
InChIKeyDZCSWIQGBIAWSF-VIFPVBQESA-N
XLogP0.76
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.76
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of (1S)-N',1-dihydroxy-2,3-dihydro-1H-indene-4-carboximidamide?
The IUPAC name of (1S)-N',1-dihydroxy-2,3-dihydro-1H-indene-4-carboximidamide (CID 58344597) is (1S)-N',1-dihydroxy-2,3-dihydro-1H-indene-4-carboximidamide.
What is the SMILES notation for (1S)-N',1-dihydroxy-2,3-dihydro-1H-indene-4-carboximidamide?
The canonical SMILES for (1S)-N',1-dihydroxy-2,3-dihydro-1H-indene-4-carboximidamide is N/C(=N/O)c1cccc2c1CC[C@@H]2O.
What is the InChIKey of (1S)-N',1-dihydroxy-2,3-dihydro-1H-indene-4-carboximidamide?
The InChIKey is DZCSWIQGBIAWSF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12N2O2/c11-10(12-14)8-3-1-2-7-6(8)4-5-9(7)13/h1-3,9,13-14H,4-5H2,(H2,11,12)/t9-/m0/s1.
What are the key properties of (1S)-N',1-dihydroxy-2,3-dihydro-1H-indene-4-carboximidamide?
(1S)-N',1-dihydroxy-2,3-dihydro-1H-indene-4-carboximidamide has a molecular weight of 192.22 g/mol, XLogP of 0.76, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N',1-dihydroxy-2,3-dihydro-1H-indene-4-carboximidamide is sourced from PubChem (CID 58344597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).