N'-hydroxyhex-4-enimidamide

C6H12N2O — CID 123491554

IUPACN'-hydroxyhex-4-enimidamide
SMILESCC=CCCC(N)=NO
InChIInChI=1S/C6H12N2O/c1-2-3-4-5-6(7)8-9/h2-3,9H,4-5H2,1H3,(H2,7,8)
InChIKeyAWRSEXRGMQIYAW-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.09
Rot. Bonds3

About N'-hydroxyhex-4-enimidamide

N'-hydroxyhex-4-enimidamide (PubChem CID 123491554) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N'-hydroxyhex-4-enimidamide.

Molecular Properties

Compound NameN'-hydroxyhex-4-enimidamide
PubChem CID123491554
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN'-hydroxyhex-4-enimidamide
SMILESCC=CCCC(N)=NO
InChIInChI=1S/C6H12N2O/c1-2-3-4-5-6(7)8-9/h2-3,9H,4-5H2,1H3,(H2,7,8)
InChIKeyAWRSEXRGMQIYAW-UHFFFAOYSA-N
XLogP1.09
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-hept-5-enamide
CID 18415105
(5Z)-hepta-1,5-dien-2-ol
CID 89297619
hexatriaconta-2,6,10,14,18,22,26,30,34-nonaene
CID 154144745
(2E,6Z,10E)-dodeca-2,6,10-triene
CID 12503721
3-[2-(diethylamino)ethyl-ethylamino]-N'-hydroxypropanimidamide
CID 107912397
carbamic acid;(E)-hex-2-ene
CID 174912639
4-(dimethylamino)-N'-hydroxybutanimidamide
CID 74314081
4-amino-4-hydroxyiminobutanamide
CID 71436462
acetonitrile;N'-hydroxybutanimidamide
CID 159901217
(Z)-non-7-enamide
CID 5365368
1-N',3-N'-dihydroxypropanediimidamide
CID 59593648
ethane;(5E)-2-methylhepta-1,5-diene
CID 143084582

Frequently Asked Questions

What is the IUPAC name of N'-hydroxyhex-4-enimidamide?
The IUPAC name of N'-hydroxyhex-4-enimidamide (CID 123491554) is N'-hydroxyhex-4-enimidamide.
What is the SMILES notation for N'-hydroxyhex-4-enimidamide?
The canonical SMILES for N'-hydroxyhex-4-enimidamide is CC=CCCC(N)=NO.
What is the InChIKey of N'-hydroxyhex-4-enimidamide?
The InChIKey is AWRSEXRGMQIYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-2-3-4-5-6(7)8-9/h2-3,9H,4-5H2,1H3,(H2,7,8).
What are the key properties of N'-hydroxyhex-4-enimidamide?
N'-hydroxyhex-4-enimidamide has a molecular weight of 128.17 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxyhex-4-enimidamide is sourced from PubChem (CID 123491554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).