acetylene;N-ethylpropanamide

C7H13NO — CID 143477358

IUPACacetylene;N-ethylpropanamide
SMILESC#C.CCNC(=O)CC
InChIInChI=1S/C5H11NO.C2H2/c1-3-5(7)6-4-2;1-2/h3-4H2,1-2H3,(H,6,7);1-2H
InChIKeyGGJCTPICOHCDJO-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.78
Rot. Bonds2

About acetylene;N-ethylpropanamide

acetylene;N-ethylpropanamide (PubChem CID 143477358) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is acetylene;N-ethylpropanamide.

Molecular Properties

Compound Nameacetylene;N-ethylpropanamide
PubChem CID143477358
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Nameacetylene;N-ethylpropanamide
SMILESC#C.CCNC(=O)CC
InChIInChI=1S/C5H11NO.C2H2/c1-3-5(7)6-4-2;1-2/h3-4H2,1-2H3,(H,6,7);1-2H
InChIKeyGGJCTPICOHCDJO-UHFFFAOYSA-N
XLogP0.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethanamine;ethane;N-ethylpropanamide
CID 157433415
N-ethylpropanamide tetrafluoroborate
CID 88753462
N,N'-diethylpropanediamide
CID 4600245
CID 59970835
CID 59970835
N-ethylpropanamide;ethyl propanoate
CID 90984827
[2-(ethylamino)-2-oxoethyl]azanium
CID 7128769
CID 175477494
CID 175477494
N,N'-diethylnonanediamide
CID 89048639
N-(2-oxopropyl)propanamide
CID 23550155
N-ethyl-2-[2-(ethylamino)-2-oxoethoxy]acetamide
CID 13126647
2-chloro-N-ethylacetamide;hydrochloride
CID 141251564
sodium 2-(ethylamino)-2-oxoethanolate
CID 122705106

Frequently Asked Questions

What is the IUPAC name of acetylene;N-ethylpropanamide?
The IUPAC name of acetylene;N-ethylpropanamide (CID 143477358) is acetylene;N-ethylpropanamide.
What is the SMILES notation for acetylene;N-ethylpropanamide?
The canonical SMILES for acetylene;N-ethylpropanamide is C#C.CCNC(=O)CC.
What is the InChIKey of acetylene;N-ethylpropanamide?
The InChIKey is GGJCTPICOHCDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C2H2/c1-3-5(7)6-4-2;1-2/h3-4H2,1-2H3,(H,6,7);1-2H.
What are the key properties of acetylene;N-ethylpropanamide?
acetylene;N-ethylpropanamide has a molecular weight of 127.19 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;N-ethylpropanamide is sourced from PubChem (CID 143477358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).