7-amino-1-hydroxyheptan-2-one

C7H15NO2 — CID 58492627

IUPAC7-amino-1-hydroxyheptan-2-one
SMILESNCCCCCC(=O)CO
InChIInChI=1S/C7H15NO2/c8-5-3-1-2-4-7(10)6-9/h9H,1-6,8H2
InChIKeyOAZCMLWGBVPGKO-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.07
Rot. Bonds6

About 7-amino-1-hydroxyheptan-2-one

7-amino-1-hydroxyheptan-2-one (PubChem CID 58492627) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 7-amino-1-hydroxyheptan-2-one.

Molecular Properties

Compound Name7-amino-1-hydroxyheptan-2-one
PubChem CID58492627
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name7-amino-1-hydroxyheptan-2-one
SMILESNCCCCCC(=O)CO
InChIInChI=1S/C7H15NO2/c8-5-3-1-2-4-7(10)6-9/h9H,1-6,8H2
InChIKeyOAZCMLWGBVPGKO-UHFFFAOYSA-N
XLogP0.07
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 178176766
12-amino-7-oxododecanoic acid
CID 4206597
16-aminohexadecanamide
CID 86033165
heptanedioic acid;hexane-1,6-diamine
CID 174639050
nonanedioic acid;tridecane-1,13-diamine
CID 21330241
8-aminooctan-4-one
CID 25202394
10-amino-2-methyldecan-4-one
CID 116551412
6-aminohexanoic acid;zinc
CID 175049463
1-hydroxydodecane-2,10-dione
CID 158814981
12-aminododecanoic acid;hydrochloride
CID 12651573
azane;decanedioic acid;hexane-1,6-diamine;hexanedioic acid
CID 173314981
12-aminododec-1-en-6-one
CID 116551538

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-hydroxyheptan-2-one?
The IUPAC name of 7-amino-1-hydroxyheptan-2-one (CID 58492627) is 7-amino-1-hydroxyheptan-2-one.
What is the SMILES notation for 7-amino-1-hydroxyheptan-2-one?
The canonical SMILES for 7-amino-1-hydroxyheptan-2-one is NCCCCCC(=O)CO.
What is the InChIKey of 7-amino-1-hydroxyheptan-2-one?
The InChIKey is OAZCMLWGBVPGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c8-5-3-1-2-4-7(10)6-9/h9H,1-6,8H2.
What are the key properties of 7-amino-1-hydroxyheptan-2-one?
7-amino-1-hydroxyheptan-2-one has a molecular weight of 145.20 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-hydroxyheptan-2-one is sourced from PubChem (CID 58492627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).