N-(1,1-dihydroxyethyl)formamide

C3H7NO3 — CID 87394549

IUPACN-(1,1-dihydroxyethyl)formamide
SMILESCC(O)(O)NC=O
InChIInChI=1S/C3H7NO3/c1-3(6,7)4-2-5/h2,6-7H,1H3,(H,4,5)
InChIKeyXKCGGRACWTUDQT-UHFFFAOYSA-N
MW105.09 g/mol
LogP-1.61
Rot. Bonds2

About N-(1,1-dihydroxyethyl)formamide

N-(1,1-dihydroxyethyl)formamide (PubChem CID 87394549) has the molecular formula C3H7NO3 and a molecular weight of 105.09 g/mol. Its IUPAC name is N-(1,1-dihydroxyethyl)formamide.

Molecular Properties

Compound NameN-(1,1-dihydroxyethyl)formamide
PubChem CID87394549
Molecular FormulaC3H7NO3
Molecular Weight105.09 g/mol
Exact Mass105.04
IUPAC NameN-(1,1-dihydroxyethyl)formamide
SMILESCC(O)(O)NC=O
InChIInChI=1S/C3H7NO3/c1-3(6,7)4-2-5/h2,6-7H,1H3,(H,4,5)
InChIKeyXKCGGRACWTUDQT-UHFFFAOYSA-N
XLogP-1.61
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.09
LogP ≤ 5-1.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxybutan-2-yl)formamide
CID 57325343
N-tert-butylformamide;ethane
CID 142078215
2,2-diformamidopropanoic acid
CID 87109916
N-[2-(2-formamidopropan-2-yloxy)propan-2-yl]formamide
CID 88642240
2-formamido-N,2-dimethylpropanamide
CID 88936933
N-(1,1-dimethoxyethyl)formamide
CID 57315952
N-(1-fluoro-2-methylpropan-2-yl)formamide
CID 14806739
2-formamido-2,3-dimethylbutanoic acid
CID 63688185
tetrakis(2-methylpropan-2-ol);oxomolybdenum
CID 154620441
2,3-dimethylbutane-2,3-diol;formic acid
CID 57352201
N-(4-methylheptan-4-yl)formamide
CID 54483706
N-[1-(ethylamino)-2-methyl-1-sulfanylidenepropan-2-yl]formamide
CID 144653401

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dihydroxyethyl)formamide?
The IUPAC name of N-(1,1-dihydroxyethyl)formamide (CID 87394549) is N-(1,1-dihydroxyethyl)formamide.
What is the SMILES notation for N-(1,1-dihydroxyethyl)formamide?
The canonical SMILES for N-(1,1-dihydroxyethyl)formamide is CC(O)(O)NC=O.
What is the InChIKey of N-(1,1-dihydroxyethyl)formamide?
The InChIKey is XKCGGRACWTUDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO3/c1-3(6,7)4-2-5/h2,6-7H,1H3,(H,4,5).
What are the key properties of N-(1,1-dihydroxyethyl)formamide?
N-(1,1-dihydroxyethyl)formamide has a molecular weight of 105.09 g/mol, XLogP of -1.61, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dihydroxyethyl)formamide is sourced from PubChem (CID 87394549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).