2-[(4S)-3,4-dihydro-2H-chromen-4-yl]guanidine

C10H13N3O — CID 94480482

IUPAC2-[(4S)-3,4-dihydro-2H-chromen-4-yl]guanidine
SMILESNC(N)=N[C@H]1CCOc2ccccc21
InChIInChI=1S/C10H13N3O/c11-10(12)13-8-5-6-14-9-4-2-1-3-7(8)9/h1-4,8H,5-6H2,(H4,11,12,13)/t8-/m0/s1
InChIKeyOEWUASFVGSTNQU-QMMMGPOBSA-N
MW191.23 g/mol
LogP0.78
Rot. Bonds1

About 2-[(4S)-3,4-dihydro-2H-chromen-4-yl]guanidine

2-[(4S)-3,4-dihydro-2H-chromen-4-yl]guanidine (PubChem CID 94480482) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-[(4S)-3,4-dihydro-2H-chromen-4-yl]guanidine.

Molecular Properties

Compound Name2-[(4S)-3,4-dihydro-2H-chromen-4-yl]guanidine
PubChem CID94480482
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-[(4S)-3,4-dihydro-2H-chromen-4-yl]guanidine
SMILESNC(N)=N[C@H]1CCOc2ccccc21
InChIInChI=1S/C10H13N3O/c11-10(12)13-8-5-6-14-9-4-2-1-3-7(8)9/h1-4,8H,5-6H2,(H4,11,12,13)/t8-/m0/s1
InChIKeyOEWUASFVGSTNQU-QMMMGPOBSA-N
XLogP0.78
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.78
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

2-(3,4-dihydro-2H-chromen-4-yl)-1-[3-(2-methylphenyl)cyclobutyl]guanidine
CID 120679700
(4S)-4-isocyanato-3,4-dihydro-2H-chromene
CID 95014453
(4S)-4-isothiocyanato-3,4-dihydro-2H-chromene
CID 94413604
1-(2-benzylcyclopropyl)-2-(3,4-dihydro-2H-chromen-4-yl)guanidine
CID 119148293
1-[3-(4-chlorophenyl)cyclobutyl]-2-(3,4-dihydro-2H-chromen-4-yl)guanidine;hydroiodide
CID 120663259
(4S)-4-iodo-3,4-dihydro-2H-chromene
CID 146562180
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
S-(3,4-dihydro-2H-chromen-4-yl)thiohydroxylamine
CID 57083074
1a,2,3,8b-tetrahydrooxireno[2,3-d][1]benzoxepine
CID 13149080
3-(3,4-dihydro-2H-chromen-4-ylamino)-2-hydroxypropanamide
CID 106171125
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-3,4-dihydro-2H-chromen-4-yl]guanidine?
The IUPAC name of 2-[(4S)-3,4-dihydro-2H-chromen-4-yl]guanidine (CID 94480482) is 2-[(4S)-3,4-dihydro-2H-chromen-4-yl]guanidine.
What is the SMILES notation for 2-[(4S)-3,4-dihydro-2H-chromen-4-yl]guanidine?
The canonical SMILES for 2-[(4S)-3,4-dihydro-2H-chromen-4-yl]guanidine is NC(N)=N[C@H]1CCOc2ccccc21.
What is the InChIKey of 2-[(4S)-3,4-dihydro-2H-chromen-4-yl]guanidine?
The InChIKey is OEWUASFVGSTNQU-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13N3O/c11-10(12)13-8-5-6-14-9-4-2-1-3-7(8)9/h1-4,8H,5-6H2,(H4,11,12,13)/t8-/m0/s1.
What are the key properties of 2-[(4S)-3,4-dihydro-2H-chromen-4-yl]guanidine?
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]guanidine has a molecular weight of 191.23 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-3,4-dihydro-2H-chromen-4-yl]guanidine is sourced from PubChem (CID 94480482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).