N-(2-hydroxybutan-2-yl)formamide

C5H11NO2 — CID 57325343

IUPACN-(2-hydroxybutan-2-yl)formamide
SMILESCCC(C)(O)NC=O
InChIInChI=1S/C5H11NO2/c1-3-5(2,8)6-4-7/h4,8H,3H2,1-2H3,(H,6,7)
InChIKeyGEQKGHCVRJTXDN-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.15
Rot. Bonds3

About N-(2-hydroxybutan-2-yl)formamide

N-(2-hydroxybutan-2-yl)formamide (PubChem CID 57325343) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is N-(2-hydroxybutan-2-yl)formamide.

Molecular Properties

Compound NameN-(2-hydroxybutan-2-yl)formamide
PubChem CID57325343
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC NameN-(2-hydroxybutan-2-yl)formamide
SMILESCCC(C)(O)NC=O
InChIInChI=1S/C5H11NO2/c1-3-5(2,8)6-4-7/h4,8H,3H2,1-2H3,(H,6,7)
InChIKeyGEQKGHCVRJTXDN-UHFFFAOYSA-N
XLogP-0.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(1,1-dihydroxyethyl)formamide
CID 87394549
3-formamido-3-methylpentanoyl chloride
CID 90950159
2-ethyl-2-formamidobutanoic acid
CID 63689307
N-(4-methylheptan-4-yl)formamide
CID 54483706
acetaldehyde;3-methylpentan-3-ol
CID 174322693
N-(2-hydroxybutan-2-yl)prop-2-enamide
CID 118588252
N-tert-butylformamide;ethane
CID 142078215
2-formamido-2-methylpentanoic acid
CID 61145661
N-[1-(ethylamino)-2-methyl-1-sulfanylidenepropan-2-yl]formamide
CID 144653401
2,2-diformamidopropanoic acid
CID 87109916
N-(1-fluoro-2-methylpropan-2-yl)formamide
CID 14806739
2-formamido-2-methyl-N,N-dipropylpropanamide
CID 88885839

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxybutan-2-yl)formamide?
The IUPAC name of N-(2-hydroxybutan-2-yl)formamide (CID 57325343) is N-(2-hydroxybutan-2-yl)formamide.
What is the SMILES notation for N-(2-hydroxybutan-2-yl)formamide?
The canonical SMILES for N-(2-hydroxybutan-2-yl)formamide is CCC(C)(O)NC=O.
What is the InChIKey of N-(2-hydroxybutan-2-yl)formamide?
The InChIKey is GEQKGHCVRJTXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-3-5(2,8)6-4-7/h4,8H,3H2,1-2H3,(H,6,7).
What are the key properties of N-(2-hydroxybutan-2-yl)formamide?
N-(2-hydroxybutan-2-yl)formamide has a molecular weight of 117.15 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxybutan-2-yl)formamide is sourced from PubChem (CID 57325343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).