2-amino-2-(3,4-dihydro-2H-chromen-6-yl)-N'-methylacetohydrazide

C12H17N3O2 — CID 116849405

IUPAC2-amino-2-(3,4-dihydro-2H-chromen-6-yl)-N'-methylacetohydrazide
SMILESCNNC(=O)C(N)c1ccc2c(c1)CCCO2
InChIInChI=1S/C12H17N3O2/c1-14-15-12(16)11(13)9-4-5-10-8(7-9)3-2-6-17-10/h4-5,7,11,14H,2-3,6,13H2,1H3,(H,15,16)
InChIKeyDQCIGTSKKVMJGP-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.26
Rot. Bonds3

About 2-amino-2-(3,4-dihydro-2H-chromen-6-yl)-N'-methylacetohydrazide

2-amino-2-(3,4-dihydro-2H-chromen-6-yl)-N'-methylacetohydrazide (PubChem CID 116849405) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-amino-2-(3,4-dihydro-2H-chromen-6-yl)-N'-methylacetohydrazide.

Molecular Properties

Compound Name2-amino-2-(3,4-dihydro-2H-chromen-6-yl)-N'-methylacetohydrazide
PubChem CID116849405
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-amino-2-(3,4-dihydro-2H-chromen-6-yl)-N'-methylacetohydrazide
SMILESCNNC(=O)C(N)c1ccc2c(c1)CCCO2
InChIInChI=1S/C12H17N3O2/c1-14-15-12(16)11(13)9-4-5-10-8(7-9)3-2-6-17-10/h4-5,7,11,14H,2-3,6,13H2,1H3,(H,15,16)
InChIKeyDQCIGTSKKVMJGP-UHFFFAOYSA-N
XLogP0.26
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-2-(3,4-dihydro-2H-chromen-6-yl)-N'-methylacetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N'-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetohydrazide
CID 116849328
methyl 2-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutanoate
CID 116964483
(2R)-2-amino-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propanamide
CID 119320933
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 93297974
(2S)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 66510589
1-(3,4-dihydro-2H-chromen-6-yl)-N'-methylcyclopropane-1-carbohydrazide
CID 116847341
5-amino-5-(3,4-dihydro-2H-chromen-6-yl)pentanamide
CID 54907654
3,4-diamino-4-(3,4-dihydro-2H-chromen-6-yl)butanoic acid
CID 116942828
1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclobutane-1-carboxylic acid
CID 116944092
4-amino-4-(3,4-dihydro-2H-chromen-6-yl)-2,2-dimethylbutanamide
CID 65297971
5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanoic acid
CID 62932980
5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanamide
CID 62932981

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3,4-dihydro-2H-chromen-6-yl)-N'-methylacetohydrazide?
The IUPAC name of 2-amino-2-(3,4-dihydro-2H-chromen-6-yl)-N'-methylacetohydrazide (CID 116849405) is 2-amino-2-(3,4-dihydro-2H-chromen-6-yl)-N'-methylacetohydrazide.
What is the SMILES notation for 2-amino-2-(3,4-dihydro-2H-chromen-6-yl)-N'-methylacetohydrazide?
The canonical SMILES for 2-amino-2-(3,4-dihydro-2H-chromen-6-yl)-N'-methylacetohydrazide is CNNC(=O)C(N)c1ccc2c(c1)CCCO2.
What is the InChIKey of 2-amino-2-(3,4-dihydro-2H-chromen-6-yl)-N'-methylacetohydrazide?
The InChIKey is DQCIGTSKKVMJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-14-15-12(16)11(13)9-4-5-10-8(7-9)3-2-6-17-10/h4-5,7,11,14H,2-3,6,13H2,1H3,(H,15,16).
What are the key properties of 2-amino-2-(3,4-dihydro-2H-chromen-6-yl)-N'-methylacetohydrazide?
2-amino-2-(3,4-dihydro-2H-chromen-6-yl)-N'-methylacetohydrazide has a molecular weight of 235.29 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3,4-dihydro-2H-chromen-6-yl)-N'-methylacetohydrazide is sourced from PubChem (CID 116849405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).