N-[2-(cyclopropylamino)-2-oxoethyl]prop-2-ynamide

C8H10N2O2 — CID 130620155

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]prop-2-ynamide
SMILESC#CC(=O)NCC(=O)NC1CC1
InChIInChI=1S/C8H10N2O2/c1-2-7(11)9-5-8(12)10-6-3-4-6/h1,6H,3-5H2,(H,9,11)(H,10,12)
InChIKeyBZVRYSBIMYLBIN-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.99
Rot. Bonds3

About N-[2-(cyclopropylamino)-2-oxoethyl]prop-2-ynamide

N-[2-(cyclopropylamino)-2-oxoethyl]prop-2-ynamide (PubChem CID 130620155) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]prop-2-ynamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]prop-2-ynamide
PubChem CID130620155
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]prop-2-ynamide
SMILESC#CC(=O)NCC(=O)NC1CC1
InChIInChI=1S/C8H10N2O2/c1-2-7(11)9-5-8(12)10-6-3-4-6/h1,6H,3-5H2,(H,9,11)(H,10,12)
InChIKeyBZVRYSBIMYLBIN-UHFFFAOYSA-N
XLogP-0.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.99
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-[2-(cyclopropylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 60668703
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 43515302
2-(cyclopropylamino)-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 60842326
2-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 107903396
N-[2-(cyclopropylamino)-2-oxoethyl]-3-sulfanylpropanamide
CID 107023146
3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 43568420
N-(4-aminocyclohexyl)prop-2-ynamide
CID 79113188
N-[2-(cyclopropylamino)-2-oxoethyl]-2-methyl-3-(methylamino)propanamide
CID 79195915
(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]butanamide
CID 79025256
N-(4-hydroxycyclohexyl)-2-(prop-2-ynylamino)acetamide
CID 79286896
N-cyclopropyl-2-(propylcarbamoylamino)acetamide
CID 84514772
N-(2-amino-2-sulfanylideneethyl)-N'-[2-(cyclopropylamino)-2-oxoethyl]oxamide
CID 43568518

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]prop-2-ynamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]prop-2-ynamide (CID 130620155) is N-[2-(cyclopropylamino)-2-oxoethyl]prop-2-ynamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]prop-2-ynamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]prop-2-ynamide is C#CC(=O)NCC(=O)NC1CC1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]prop-2-ynamide?
The InChIKey is BZVRYSBIMYLBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-2-7(11)9-5-8(12)10-6-3-4-6/h1,6H,3-5H2,(H,9,11)(H,10,12).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]prop-2-ynamide?
N-[2-(cyclopropylamino)-2-oxoethyl]prop-2-ynamide has a molecular weight of 166.18 g/mol, XLogP of -0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]prop-2-ynamide is sourced from PubChem (CID 130620155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).