2-(3,4-dihydro-2H-chromen-2-ylmethyl)guanidine

C11H15N3O — CID 154114295

IUPAC2-(3,4-dihydro-2H-chromen-2-ylmethyl)guanidine
SMILESNC(N)=NCC1CCc2ccccc2O1
InChIInChI=1S/C11H15N3O/c12-11(13)14-7-9-6-5-8-3-1-2-4-10(8)15-9/h1-4,9H,5-7H2,(H4,12,13,14)
InChIKeyDKNYQXJIXBVIIA-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.65
Rot. Bonds2

About 2-(3,4-dihydro-2H-chromen-2-ylmethyl)guanidine

2-(3,4-dihydro-2H-chromen-2-ylmethyl)guanidine (PubChem CID 154114295) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-2-ylmethyl)guanidine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-2-ylmethyl)guanidine
PubChem CID154114295
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-(3,4-dihydro-2H-chromen-2-ylmethyl)guanidine
SMILESNC(N)=NCC1CCc2ccccc2O1
InChIInChI=1S/C11H15N3O/c12-11(13)14-7-9-6-5-8-3-1-2-4-10(8)15-9/h1-4,9H,5-7H2,(H4,12,13,14)
InChIKeyDKNYQXJIXBVIIA-UHFFFAOYSA-N
XLogP0.65
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.65
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-[(2S)-3,4-dihydro-2H-chromen-2-yl]ethanol
CID 54393265
N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzenecarboximidamide
CID 63176117
N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopentanecarboximidamide
CID 55158622
2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde
CID 54477156
(2S)-2-(2-phenylethyl)-3,4-dihydro-2H-chromene
CID 162778630
2-[(2R)-3,4-dihydro-2H-chromen-2-yl]-1-phenylethanone
CID 73333079
(2S)-3-(3,4-dihydro-2H-chromen-2-yl)-1,1,1-trifluoropropan-2-ol
CID 67581666
2-(difluoromethoxymethyl)-3,4-dihydro-2H-chromene
CID 163222414
4-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1,2,4-triazole
CID 50965959
2-(4-chlorobutyl)-3,4-dihydro-2H-chromene
CID 142039249
benzene;2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde;ethanol
CID 142231638
1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-amine
CID 22573243

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-2-ylmethyl)guanidine?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-2-ylmethyl)guanidine (CID 154114295) is 2-(3,4-dihydro-2H-chromen-2-ylmethyl)guanidine.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-2-ylmethyl)guanidine?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-2-ylmethyl)guanidine is NC(N)=NCC1CCc2ccccc2O1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-2-ylmethyl)guanidine?
The InChIKey is DKNYQXJIXBVIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c12-11(13)14-7-9-6-5-8-3-1-2-4-10(8)15-9/h1-4,9H,5-7H2,(H4,12,13,14).
What are the key properties of 2-(3,4-dihydro-2H-chromen-2-ylmethyl)guanidine?
2-(3,4-dihydro-2H-chromen-2-ylmethyl)guanidine has a molecular weight of 205.26 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-2-ylmethyl)guanidine is sourced from PubChem (CID 154114295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).