N-[[1-(hydroxymethyl)cyclopropyl]methyl]prop-2-ynamide

C8H11NO2 — CID 115455293

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]prop-2-ynamide
SMILESC#CC(=O)NCC1(CO)CC1
InChIInChI=1S/C8H11NO2/c1-2-7(11)9-5-8(6-10)3-4-8/h1,10H,3-6H2,(H,9,11)
InChIKeyWMGXVLMTRAMZTB-UHFFFAOYSA-N
MW153.18 g/mol
LogP-0.49
Rot. Bonds3

About N-[[1-(hydroxymethyl)cyclopropyl]methyl]prop-2-ynamide

N-[[1-(hydroxymethyl)cyclopropyl]methyl]prop-2-ynamide (PubChem CID 115455293) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]prop-2-ynamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]prop-2-ynamide
PubChem CID115455293
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]prop-2-ynamide
SMILESC#CC(=O)NCC1(CO)CC1
InChIInChI=1S/C8H11NO2/c1-2-7(11)9-5-8(6-10)3-4-8/h1,10H,3-6H2,(H,9,11)
InChIKeyWMGXVLMTRAMZTB-UHFFFAOYSA-N
XLogP-0.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.49
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

1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methylurea
CID 79461046
[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid
CID 66597374
N-[[1-(hydroxymethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 115455350
N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclooctanecarboxamide
CID 80717782
2,2-difluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 103513976
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylprop-2-ynamide
CID 115362542
N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 80711591
N-[(2-methylpyrrolidin-2-yl)methyl]prop-2-ynamide
CID 130542642
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methylpropyl)urea
CID 111573291
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methoxypropanamide
CID 80708553
methyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate
CID 110292599
1-(5,5-dimethylhexan-2-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618934

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]prop-2-ynamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]prop-2-ynamide (CID 115455293) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]prop-2-ynamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]prop-2-ynamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]prop-2-ynamide is C#CC(=O)NCC1(CO)CC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]prop-2-ynamide?
The InChIKey is WMGXVLMTRAMZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-7(11)9-5-8(6-10)3-4-8/h1,10H,3-6H2,(H,9,11).
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]prop-2-ynamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]prop-2-ynamide has a molecular weight of 153.18 g/mol, XLogP of -0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopropyl]methyl]prop-2-ynamide is sourced from PubChem (CID 115455293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).