N-(3-hydroxybutan-2-yl)formamide

C5H11NO2 — CID 131162679

IUPACN-(3-hydroxybutan-2-yl)formamide
SMILESCC(O)C(C)NC=O
InChIInChI=1S/C5H11NO2/c1-4(5(2)8)6-3-7/h3-5,8H,1-2H3,(H,6,7)
InChIKeyTVZKUTCZEDRHNS-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.50
Rot. Bonds3

About N-(3-hydroxybutan-2-yl)formamide

N-(3-hydroxybutan-2-yl)formamide (PubChem CID 131162679) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is N-(3-hydroxybutan-2-yl)formamide.

Molecular Properties

Compound NameN-(3-hydroxybutan-2-yl)formamide
PubChem CID131162679
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC NameN-(3-hydroxybutan-2-yl)formamide
SMILESCC(O)C(C)NC=O
InChIInChI=1S/C5H11NO2/c1-4(5(2)8)6-3-7/h3-5,8H,1-2H3,(H,6,7)
InChIKeyTVZKUTCZEDRHNS-UHFFFAOYSA-N
XLogP-0.50
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 ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutan-2-yl)formamide?
The IUPAC name of N-(3-hydroxybutan-2-yl)formamide (CID 131162679) is N-(3-hydroxybutan-2-yl)formamide.
What is the SMILES notation for N-(3-hydroxybutan-2-yl)formamide?
The canonical SMILES for N-(3-hydroxybutan-2-yl)formamide is CC(O)C(C)NC=O.
What is the InChIKey of N-(3-hydroxybutan-2-yl)formamide?
The InChIKey is TVZKUTCZEDRHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-4(5(2)8)6-3-7/h3-5,8H,1-2H3,(H,6,7).
What are the key properties of N-(3-hydroxybutan-2-yl)formamide?
N-(3-hydroxybutan-2-yl)formamide has a molecular weight of 117.15 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutan-2-yl)formamide is sourced from PubChem (CID 131162679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).