N'-[(E)-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)prop-1-enyl]methanimidamide

C13H16N2O — CID 142903262

IUPACN'-[(E)-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)prop-1-enyl]methanimidamide
SMILESN/C=N/C=C/CC1CCc2ccc(O)cc21
InChIInChI=1S/C13H16N2O/c14-9-15-7-1-2-10-3-4-11-5-6-12(16)8-13(10)11/h1,5-10,16H,2-4H2,(H2,14,15)/b7-1+
InChIKeyFNQSIJTXYFTGKQ-LREOWRDNSA-N
MW216.28 g/mol
LogP2.31
Rot. Bonds3

About N'-[(E)-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)prop-1-enyl]methanimidamide

N'-[(E)-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)prop-1-enyl]methanimidamide (PubChem CID 142903262) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N'-[(E)-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)prop-1-enyl]methanimidamide.

Molecular Properties

Compound NameN'-[(E)-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)prop-1-enyl]methanimidamide
PubChem CID142903262
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN'-[(E)-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)prop-1-enyl]methanimidamide
SMILESN/C=N/C=C/CC1CCc2ccc(O)cc21
InChIInChI=1S/C13H16N2O/c14-9-15-7-1-2-10-3-4-11-5-6-12(16)8-13(10)11/h1,5-10,16H,2-4H2,(H2,14,15)/b7-1+
InChIKeyFNQSIJTXYFTGKQ-LREOWRDNSA-N
XLogP2.31
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.31
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'}

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Related Compounds

3-(2-aminoethyl)-2,3-dihydro-1H-inden-5-ol
CID 83827747
2-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)acetaldehyde
CID 45098204
3-[(propan-2-ylamino)methyl]-2,3-dihydro-1H-inden-5-ol
CID 105458052
2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 68629787
7-(aminomethyl)-8-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 115057280
7-amino-8-bromo-5,6,7,8-tetrahydronaphthalen-2-ol
CID 139779177
(1S)-1-amino-2,3-dihydro-1H-inden-5-ol;hydrochloride
CID 156588205
1-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diol
CID 115010784
6-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 71463972
(4-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methyl carbamate
CID 57072504
(6-fluoro-2,3-dihydro-1H-inden-1-yl)methanamine
CID 82074741
(8R)-8-amino-7-benzyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 70366570

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)prop-1-enyl]methanimidamide?
The IUPAC name of N'-[(E)-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)prop-1-enyl]methanimidamide (CID 142903262) is N'-[(E)-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)prop-1-enyl]methanimidamide.
What is the SMILES notation for N'-[(E)-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)prop-1-enyl]methanimidamide?
The canonical SMILES for N'-[(E)-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)prop-1-enyl]methanimidamide is N/C=N/C=C/CC1CCc2ccc(O)cc21.
What is the InChIKey of N'-[(E)-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)prop-1-enyl]methanimidamide?
The InChIKey is FNQSIJTXYFTGKQ-LREOWRDNSA-N. The full InChI is InChI=1S/C13H16N2O/c14-9-15-7-1-2-10-3-4-11-5-6-12(16)8-13(10)11/h1,5-10,16H,2-4H2,(H2,14,15)/b7-1+.
What are the key properties of N'-[(E)-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)prop-1-enyl]methanimidamide?
N'-[(E)-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)prop-1-enyl]methanimidamide has a molecular weight of 216.28 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)prop-1-enyl]methanimidamide is sourced from PubChem (CID 142903262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).