N-[(1-hydroxycyclobutyl)methyl]pent-4-ynamide

C10H15NO2 — CID 106741500

IUPACN-[(1-hydroxycyclobutyl)methyl]pent-4-ynamide
SMILESC#CCCC(=O)NCC1(O)CCC1
InChIInChI=1S/C10H15NO2/c1-2-3-5-9(12)11-8-10(13)6-4-7-10/h1,13H,3-8H2,(H,11,12)
InChIKeyVMWWNQUNSVJFHU-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.43
Rot. Bonds4

About N-[(1-hydroxycyclobutyl)methyl]pent-4-ynamide

N-[(1-hydroxycyclobutyl)methyl]pent-4-ynamide (PubChem CID 106741500) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]pent-4-ynamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]pent-4-ynamide
PubChem CID106741500
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]pent-4-ynamide
SMILESC#CCCC(=O)NCC1(O)CCC1
InChIInChI=1S/C10H15NO2/c1-2-3-5-9(12)11-8-10(13)6-4-7-10/h1,13H,3-8H2,(H,11,12)
InChIKeyVMWWNQUNSVJFHU-UHFFFAOYSA-N
XLogP0.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.43
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-[(1-hydroxycyclobutyl)methyl]hept-6-ynamide
CID 103908751
N'-[(1-hydroxycycloheptyl)methyl]-N-prop-2-ynylpropanediamide
CID 110017495
N-[(1-hydroxycyclobutyl)methyl]nonanamide
CID 115668880
N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]butanamide
CID 111445246
N-[(1-hydroxycyclobutyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111539371
N-[3-[(1-hydroxycyclobutyl)methylamino]-3-oxopropyl]cyclohexanecarboxamide
CID 111445220
N-[(1-hydroxycyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 79209328
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 130634547
4-cyclohexyl-N-[(1-hydroxycyclobutyl)methyl]butanamide
CID 115643503
N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide
CID 111445427
2-amino-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 65122282
N-(1-methylcyclopentyl)pent-4-ynamide
CID 130688553

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]pent-4-ynamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]pent-4-ynamide (CID 106741500) is N-[(1-hydroxycyclobutyl)methyl]pent-4-ynamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]pent-4-ynamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]pent-4-ynamide is C#CCCC(=O)NCC1(O)CCC1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]pent-4-ynamide?
The InChIKey is VMWWNQUNSVJFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-3-5-9(12)11-8-10(13)6-4-7-10/h1,13H,3-8H2,(H,11,12).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]pent-4-ynamide?
N-[(1-hydroxycyclobutyl)methyl]pent-4-ynamide has a molecular weight of 181.23 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]pent-4-ynamide is sourced from PubChem (CID 106741500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).