3-(prop-2-ynylamino)propanamide

C6H10N2O — CID 43090029

IUPAC3-(prop-2-ynylamino)propanamide
SMILESC#CCNCCC(N)=O
InChIInChI=1S/C6H10N2O/c1-2-4-8-5-3-6(7)9/h1,8H,3-5H2,(H2,7,9)
InChIKeyDRXYKGJFZCBICR-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.92
Rot. Bonds4

About 3-(prop-2-ynylamino)propanamide

3-(prop-2-ynylamino)propanamide (PubChem CID 43090029) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 3-(prop-2-ynylamino)propanamide.

Molecular Properties

Compound Name3-(prop-2-ynylamino)propanamide
PubChem CID43090029
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name3-(prop-2-ynylamino)propanamide
SMILESC#CCNCCC(N)=O
InChIInChI=1S/C6H10N2O/c1-2-4-8-5-3-6(7)9/h1,8H,3-5H2,(H2,7,9)
InChIKeyDRXYKGJFZCBICR-UHFFFAOYSA-N
XLogP-0.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(hex-5-ynylamino)propanamide
CID 106211456
ethane;3-(ethylamino)propanamide
CID 156743022
3-(aminomethylamino)propanamide
CID 123274483
3-(prop-2-ynoxyamino)propanamide
CID 130621020
N-methyl-4-(prop-2-ynylamino)butanamide
CID 63892463
N'-hydroxy-5-(prop-2-ynylamino)pentanimidamide
CID 77026148
methyl N-[2-(prop-2-ynylamino)ethyl]carbamate
CID 89315240
4-(prop-2-ynylamino)butan-2-ol
CID 64911944
3-(3-cyanopropylamino)propanamide
CID 43553561
3-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 43553568
3-[(2-methylpropan-2-yl)oxymethylamino]propanamide
CID 130284943
3-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide
CID 81414518

Frequently Asked Questions

What is the IUPAC name of 3-(prop-2-ynylamino)propanamide?
The IUPAC name of 3-(prop-2-ynylamino)propanamide (CID 43090029) is 3-(prop-2-ynylamino)propanamide.
What is the SMILES notation for 3-(prop-2-ynylamino)propanamide?
The canonical SMILES for 3-(prop-2-ynylamino)propanamide is C#CCNCCC(N)=O.
What is the InChIKey of 3-(prop-2-ynylamino)propanamide?
The InChIKey is DRXYKGJFZCBICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-2-4-8-5-3-6(7)9/h1,8H,3-5H2,(H2,7,9).
What are the key properties of 3-(prop-2-ynylamino)propanamide?
3-(prop-2-ynylamino)propanamide has a molecular weight of 126.16 g/mol, XLogP of -0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-2-ynylamino)propanamide is sourced from PubChem (CID 43090029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).