hept-3-ynamide

C7H11NO — CID 55289382

IUPAChept-3-ynamide
SMILESCCCC#CCC(N)=O
InChIInChI=1S/C7H11NO/c1-2-3-4-5-6-7(8)9/h2-3,6H2,1H3,(H2,8,9)
InChIKeyIDUVUFQIDLGGLC-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.67
Rot. Bonds2

About hept-3-ynamide

hept-3-ynamide (PubChem CID 55289382) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is hept-3-ynamide.

Molecular Properties

Compound Namehept-3-ynamide
PubChem CID55289382
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Namehept-3-ynamide
SMILESCCCC#CCC(N)=O
InChIInChI=1S/C7H11NO/c1-2-3-4-5-6-7(8)9/h2-3,6H2,1H3,(H2,8,9)
InChIKeyIDUVUFQIDLGGLC-UHFFFAOYSA-N
XLogP0.67
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.67
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

non-5-yn-2-one
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carbon monoxide;cobalt;cobalt(2+);methanone;oct-4-yne
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CID 139974254
hex-2-ynethioic S-acid
CID 57208590
tridec-9-ynoic acid
CID 5312723
ethanol;hexadeca-5,7-diynamide
CID 87990154
1-(4-methoxyphenyl)hept-3-yn-1-one
CID 175020009
hex-2-yn-1-ol;methanesulfonic acid
CID 71333230
butanamide
CID 141414886
benzene;carbon monoxide;chromium;oct-4-yne
CID 134898914
icosa-3,7-diynoic acid
CID 164519599
hex-2-ynyl octanoate
CID 175943917

Frequently Asked Questions

What is the IUPAC name of hept-3-ynamide?
The IUPAC name of hept-3-ynamide (CID 55289382) is hept-3-ynamide.
What is the SMILES notation for hept-3-ynamide?
The canonical SMILES for hept-3-ynamide is CCCC#CCC(N)=O.
What is the InChIKey of hept-3-ynamide?
The InChIKey is IDUVUFQIDLGGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-3-4-5-6-7(8)9/h2-3,6H2,1H3,(H2,8,9).
What are the key properties of hept-3-ynamide?
hept-3-ynamide has a molecular weight of 125.17 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hept-3-ynamide is sourced from PubChem (CID 55289382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).