N-(2-cyclopropyl-2-hydroxyethyl)pent-4-ynamide

C10H15NO2 — CID 107358903

IUPACN-(2-cyclopropyl-2-hydroxyethyl)pent-4-ynamide
SMILESC#CCCC(=O)NCC(O)C1CC1
InChIInChI=1S/C10H15NO2/c1-2-3-4-10(13)11-7-9(12)8-5-6-8/h1,8-9,12H,3-7H2,(H,11,13)
InChIKeyNOGIHVDHUFLLDQ-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.29
Rot. Bonds5

About N-(2-cyclopropyl-2-hydroxyethyl)pent-4-ynamide

N-(2-cyclopropyl-2-hydroxyethyl)pent-4-ynamide (PubChem CID 107358903) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)pent-4-ynamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)pent-4-ynamide
PubChem CID107358903
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)pent-4-ynamide
SMILESC#CCCC(=O)NCC(O)C1CC1
InChIInChI=1S/C10H15NO2/c1-2-3-4-10(13)11-7-9(12)8-5-6-8/h1,8-9,12H,3-7H2,(H,11,13)
InChIKeyNOGIHVDHUFLLDQ-UHFFFAOYSA-N
XLogP0.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.29
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

3-amino-N-(2-cyclopropyl-2-hydroxyethyl)propanamide
CID 63297161
N-(2-cyclopropyl-2-hydroxyethyl)-3-(methylamino)propanamide
CID 63297635
N-(2-cyclopentyl-2-hydroxyethyl)-3-prop-2-ynoxypropanamide
CID 109478571
N-(3-hydroxy-2-methylpropyl)pent-4-ynamide
CID 106741596
N-(2-cyclopropyl-2-hydroxyethyl)nonanamide
CID 63294974
N-(2-cyclopropyl-2-hydroxyethyl)-4-(propan-2-ylamino)butanamide
CID 63297357
3-cyclopentyl-N-[2-[(2-cyclopentyl-2-hydroxyethyl)amino]-2-oxoethyl]propanamide
CID 111426276
3-amino-N-(2-cyclohexyl-2-hydroxyethyl)propanamide;hydrochloride
CID 119293866
1-cyclopropyl-2-(prop-2-ynylamino)ethanol
CID 63299078
N-(2-cyclopentyl-2-hydroxyethyl)-3-ethoxypropanamide
CID 111425977
N-(2-cyclopropyl-2-hydroxyethyl)-2-(propylamino)acetamide
CID 63296919
N-(2-cyclopropyl-2-hydroxyethyl)-4-hydroxycyclohexane-1-carboxamide
CID 136538686

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)pent-4-ynamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)pent-4-ynamide (CID 107358903) is N-(2-cyclopropyl-2-hydroxyethyl)pent-4-ynamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)pent-4-ynamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)pent-4-ynamide is C#CCCC(=O)NCC(O)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)pent-4-ynamide?
The InChIKey is NOGIHVDHUFLLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-3-4-10(13)11-7-9(12)8-5-6-8/h1,8-9,12H,3-7H2,(H,11,13).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)pent-4-ynamide?
N-(2-cyclopropyl-2-hydroxyethyl)pent-4-ynamide has a molecular weight of 181.23 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)pent-4-ynamide is sourced from PubChem (CID 107358903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).