6-hydroxyhexan-3-ylideneurea

C7H14N2O2 — CID 175251056

IUPAC6-hydroxyhexan-3-ylideneurea
SMILESCCC(CCCO)=NC(N)=O
InChIInChI=1S/C7H14N2O2/c1-2-6(4-3-5-10)9-7(8)11/h10H,2-5H2,1H3,(H2,8,11)
InChIKeyHTKGGEMKDCXZHP-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.69
Rot. Bonds4

About 6-hydroxyhexan-3-ylideneurea

6-hydroxyhexan-3-ylideneurea (PubChem CID 175251056) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 6-hydroxyhexan-3-ylideneurea.

Molecular Properties

Compound Name6-hydroxyhexan-3-ylideneurea
PubChem CID175251056
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name6-hydroxyhexan-3-ylideneurea
SMILESCCC(CCCO)=NC(N)=O
InChIInChI=1S/C7H14N2O2/c1-2-6(4-3-5-10)9-7(8)11/h10H,2-5H2,1H3,(H2,8,11)
InChIKeyHTKGGEMKDCXZHP-UHFFFAOYSA-N
XLogP0.69
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-oxoethyl)-N-ethyl-4-hydroxybutanamide
CID 103104212
3-amino-N-ethyl-3-hydroxyimino-N-(3-hydroxypropyl)propanamide
CID 104861865
N-ethoxy-4-hydroxybutanamide
CID 79191598
butan-1-ol;urea;hydrate
CID 172765702
propanoyl 4-hydroxybutanoate
CID 88799917
5-hydroxypentan-2-one
CID 162230963
carbamic acid;octan-1-ol
CID 175180386
6-hydroxyhexanamide
CID 11815390
hexane-1,6-diol;propanoic acid
CID 87606628
18-hydroxyoctadecanamide
CID 54261687
propanoic acid;tridecane-1,13-diol
CID 175109427
acetic acid;ethyl 4-hydroxybutanoate
CID 173148850

Frequently Asked Questions

What is the IUPAC name of 6-hydroxyhexan-3-ylideneurea?
The IUPAC name of 6-hydroxyhexan-3-ylideneurea (CID 175251056) is 6-hydroxyhexan-3-ylideneurea.
What is the SMILES notation for 6-hydroxyhexan-3-ylideneurea?
The canonical SMILES for 6-hydroxyhexan-3-ylideneurea is CCC(CCCO)=NC(N)=O.
What is the InChIKey of 6-hydroxyhexan-3-ylideneurea?
The InChIKey is HTKGGEMKDCXZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-6(4-3-5-10)9-7(8)11/h10H,2-5H2,1H3,(H2,8,11).
What are the key properties of 6-hydroxyhexan-3-ylideneurea?
6-hydroxyhexan-3-ylideneurea has a molecular weight of 158.20 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 6-hydroxyhexan-3-ylideneurea is sourced from PubChem (CID 175251056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).