N-[3-(hydroxymethyl)cyclobutyl]but-2-ynamide

C9H13NO2 — CID 164662207

IUPACN-[3-(hydroxymethyl)cyclobutyl]but-2-ynamide
SMILESCC#CC(=O)NC1CC(CO)C1
InChIInChI=1S/C9H13NO2/c1-2-3-9(12)10-8-4-7(5-8)6-11/h7-8,11H,4-6H2,1H3,(H,10,12)
InChIKeyDDKVBXFGNRBELL-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.10
Rot. Bonds2

About N-[3-(hydroxymethyl)cyclobutyl]but-2-ynamide

N-[3-(hydroxymethyl)cyclobutyl]but-2-ynamide (PubChem CID 164662207) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)cyclobutyl]but-2-ynamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)cyclobutyl]but-2-ynamide
PubChem CID164662207
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC NameN-[3-(hydroxymethyl)cyclobutyl]but-2-ynamide
SMILESCC#CC(=O)NC1CC(CO)C1
InChIInChI=1S/C9H13NO2/c1-2-3-9(12)10-8-4-7(5-8)6-11/h7-8,11H,4-6H2,1H3,(H,10,12)
InChIKeyDDKVBXFGNRBELL-UHFFFAOYSA-N
XLogP-0.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-propan-2-ylcyclobutyl)but-2-ynamide
CID 131038848
N-[3-(hydroxymethyl)cyclobutyl]-2-sulfanylacetamide
CID 164662164
N-[3-(hydroxymethyl)cyclobutyl]-2-methylpentanamide
CID 165445060
N-cyclohex-3-en-1-ylbut-2-ynamide
CID 130621125
1-[3-(hydroxymethyl)cyclobutyl]ethanone
CID 158201402
4-(but-2-ynoylamino)cyclopent-2-ene-1-carboxylic acid
CID 107986819
N-(2-amino-4-ethoxycyclobutyl)but-2-ynamide
CID 107990558
N-[(1R,2R)-2-hydroxycyclohexyl]but-2-ynamide
CID 107989705
[(1R,3R)-3-(hydroxymethyl)cyclopentyl]carbamic acid
CID 174154998
[(1R,3S)-3-(hydroxymethyl)cyclopentyl]carbamic acid
CID 20729705
[(3S)-3-(hydroxymethyl)cyclopentyl]carbamic acid
CID 89477249
trans-dimethyl (1R,2R)-4-(hydroxymethyl)cyclopentane-1,2-dicarboxylate
CID 10330914

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)cyclobutyl]but-2-ynamide?
The IUPAC name of N-[3-(hydroxymethyl)cyclobutyl]but-2-ynamide (CID 164662207) is N-[3-(hydroxymethyl)cyclobutyl]but-2-ynamide.
What is the SMILES notation for N-[3-(hydroxymethyl)cyclobutyl]but-2-ynamide?
The canonical SMILES for N-[3-(hydroxymethyl)cyclobutyl]but-2-ynamide is CC#CC(=O)NC1CC(CO)C1.
What is the InChIKey of N-[3-(hydroxymethyl)cyclobutyl]but-2-ynamide?
The InChIKey is DDKVBXFGNRBELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-2-3-9(12)10-8-4-7(5-8)6-11/h7-8,11H,4-6H2,1H3,(H,10,12).
What are the key properties of N-[3-(hydroxymethyl)cyclobutyl]but-2-ynamide?
N-[3-(hydroxymethyl)cyclobutyl]but-2-ynamide has a molecular weight of 167.21 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)cyclobutyl]but-2-ynamide is sourced from PubChem (CID 164662207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).