N-(1-hydroxybutan-2-yl)-N-prop-1-en-2-ylformamide

C8H15NO2 — CID 166960934

IUPACN-(1-hydroxybutan-2-yl)-N-prop-1-en-2-ylformamide
SMILESC=C(C)N(C=O)C(CC)CO
InChIInChI=1S/C8H15NO2/c1-4-8(5-10)9(6-11)7(2)3/h6,8,10H,2,4-5H2,1,3H3
InChIKeyRLVDUSJTASXWCP-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.75
Rot. Bonds5

About N-(1-hydroxybutan-2-yl)-N-prop-1-en-2-ylformamide

N-(1-hydroxybutan-2-yl)-N-prop-1-en-2-ylformamide (PubChem CID 166960934) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-N-prop-1-en-2-ylformamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-N-prop-1-en-2-ylformamide
PubChem CID166960934
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-(1-hydroxybutan-2-yl)-N-prop-1-en-2-ylformamide
SMILESC=C(C)N(C=O)C(CC)CO
InChIInChI=1S/C8H15NO2/c1-4-8(5-10)9(6-11)7(2)3/h6,8,10H,2,4-5H2,1,3H3
InChIKeyRLVDUSJTASXWCP-UHFFFAOYSA-N
XLogP0.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.75
H-Bond Donors ≤ 51
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-(1-hydroxybutan-2-yl)-N-prop-1-en-2-ylformamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-N-prop-1-en-2-ylformamide (CID 166960934) is N-(1-hydroxybutan-2-yl)-N-prop-1-en-2-ylformamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-N-prop-1-en-2-ylformamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-N-prop-1-en-2-ylformamide is C=C(C)N(C=O)C(CC)CO.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-N-prop-1-en-2-ylformamide?
The InChIKey is RLVDUSJTASXWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-8(5-10)9(6-11)7(2)3/h6,8,10H,2,4-5H2,1,3H3.
What are the key properties of N-(1-hydroxybutan-2-yl)-N-prop-1-en-2-ylformamide?
N-(1-hydroxybutan-2-yl)-N-prop-1-en-2-ylformamide has a molecular weight of 157.21 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-N-prop-1-en-2-ylformamide is sourced from PubChem (CID 166960934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).