3-[2-(hydroxyamino)prop-2-enyl]heptan-2-one

C10H19NO2 — CID 142070785

IUPAC3-[2-(hydroxyamino)prop-2-enyl]heptan-2-one
SMILESC=C(CC(CCCC)C(C)=O)NO
InChIInChI=1S/C10H19NO2/c1-4-5-6-10(9(3)12)7-8(2)11-13/h10-11,13H,2,4-7H2,1,3H3
InChIKeyPCLGIANWQOHBEA-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.26
Rot. Bonds7

About 3-[2-(hydroxyamino)prop-2-enyl]heptan-2-one

3-[2-(hydroxyamino)prop-2-enyl]heptan-2-one (PubChem CID 142070785) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-[2-(hydroxyamino)prop-2-enyl]heptan-2-one.

Molecular Properties

Compound Name3-[2-(hydroxyamino)prop-2-enyl]heptan-2-one
PubChem CID142070785
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-[2-(hydroxyamino)prop-2-enyl]heptan-2-one
SMILESC=C(CC(CCCC)C(C)=O)NO
InChIInChI=1S/C10H19NO2/c1-4-5-6-10(9(3)12)7-8(2)11-13/h10-11,13H,2,4-7H2,1,3H3
InChIKeyPCLGIANWQOHBEA-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Amino-1-fluoroprop-2-enyl)heptan-2-one
CID 142070726
5-(3-Methylbut-1-en-2-yloxyamino)hex-5-en-2-one
CID 134458005
(3S,4R)-4-(1-aminoethenyl)-3,6-dimethylheptan-2-one
CID 141960585
5-Amino-4-propan-2-ylhex-5-en-2-one
CID 141970735
7-(Hydroxyamino)oct-7-en-2-one
CID 143059142
9-(Hydroxyamino)dec-9-en-2-one
CID 143666602
5-Amino-3,4-diethylhex-5-en-2-one
CID 101613725
3-(2-Aminoprop-2-enyl)heptan-2-one
CID 142070733
5-(2-Aminoprop-2-enyl)undecan-6-one
CID 142070822

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxyamino)prop-2-enyl]heptan-2-one?
The IUPAC name of 3-[2-(hydroxyamino)prop-2-enyl]heptan-2-one (CID 142070785) is 3-[2-(hydroxyamino)prop-2-enyl]heptan-2-one.
What is the SMILES notation for 3-[2-(hydroxyamino)prop-2-enyl]heptan-2-one?
The canonical SMILES for 3-[2-(hydroxyamino)prop-2-enyl]heptan-2-one is C=C(CC(CCCC)C(C)=O)NO.
What is the InChIKey of 3-[2-(hydroxyamino)prop-2-enyl]heptan-2-one?
The InChIKey is PCLGIANWQOHBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-5-6-10(9(3)12)7-8(2)11-13/h10-11,13H,2,4-7H2,1,3H3.
What are the key properties of 3-[2-(hydroxyamino)prop-2-enyl]heptan-2-one?
3-[2-(hydroxyamino)prop-2-enyl]heptan-2-one has a molecular weight of 185.27 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxyamino)prop-2-enyl]heptan-2-one is sourced from PubChem (CID 142070785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).