N-hydroxyhept-6-ynamide

C7H11NO2 — CID 71623064

IUPACN-hydroxyhept-6-ynamide
SMILESC#CCCCCC(=O)NO
InChIInChI=1S/C7H11NO2/c1-2-3-4-5-6-7(9)8-10/h1,10H,3-6H2,(H,8,9)
InChIKeyQFSGWVKCTYUGNH-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.69
Rot. Bonds4

About N-hydroxyhept-6-ynamide

N-hydroxyhept-6-ynamide (PubChem CID 71623064) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is N-hydroxyhept-6-ynamide.

Molecular Properties

Compound NameN-hydroxyhept-6-ynamide
PubChem CID71623064
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC NameN-hydroxyhept-6-ynamide
SMILESC#CCCCCC(=O)NO
InChIInChI=1S/C7H11NO2/c1-2-3-4-5-6-7(9)8-10/h1,10H,3-6H2,(H,8,9)
InChIKeyQFSGWVKCTYUGNH-UHFFFAOYSA-N
XLogP0.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyloct-7-ynamide
CID 175792048
N',N'-dimethylhept-6-ynehydrazide
CID 163368546
tetradec-13-ynamide
CID 19767571
heptadec-16-ynoic acid
CID 5312626
N-but-3-ynylhex-5-ynamide
CID 10630847
N-[(1-hydroxycyclobutyl)methyl]hept-6-ynamide
CID 103908751
undec-10-ynoyl chloride
CID 15389915
(E)-hexadec-3-en-15-yne-2,5-dione
CID 44613167
13-(hydroxyamino)-13-oxotridecanoic acid
CID 21490419
20-(hydroxyamino)-20-oxoicosanoic acid
CID 87685101
N,16-dihydroxyhexadecanamide
CID 87686064
26-(hydroxyamino)-26-oxohexacosanoic acid
CID 87686862

Frequently Asked Questions

What is the IUPAC name of N-hydroxyhept-6-ynamide?
The IUPAC name of N-hydroxyhept-6-ynamide (CID 71623064) is N-hydroxyhept-6-ynamide.
What is the SMILES notation for N-hydroxyhept-6-ynamide?
The canonical SMILES for N-hydroxyhept-6-ynamide is C#CCCCCC(=O)NO.
What is the InChIKey of N-hydroxyhept-6-ynamide?
The InChIKey is QFSGWVKCTYUGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-3-4-5-6-7(9)8-10/h1,10H,3-6H2,(H,8,9).
What are the key properties of N-hydroxyhept-6-ynamide?
N-hydroxyhept-6-ynamide has a molecular weight of 141.17 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxyhept-6-ynamide is sourced from PubChem (CID 71623064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).