N-[6-amino-2-hydroxy-4-(hydroxymethyl)cyclohex-3-en-1-yl]acetamide

C9H16N2O3 — CID 123370792

IUPACN-[6-amino-2-hydroxy-4-(hydroxymethyl)cyclohex-3-en-1-yl]acetamide
SMILESCC(=O)NC1C(O)C=C(CO)CC1N
InChIInChI=1S/C9H16N2O3/c1-5(13)11-9-7(10)2-6(4-12)3-8(9)14/h3,7-9,12,14H,2,4,10H2,1H3,(H,11,13)
InChIKeyBHRDJLRTXLTTAR-UHFFFAOYSA-N
MW200.24 g/mol
LogP-1.50
Rot. Bonds2

About N-[6-amino-2-hydroxy-4-(hydroxymethyl)cyclohex-3-en-1-yl]acetamide

N-[6-amino-2-hydroxy-4-(hydroxymethyl)cyclohex-3-en-1-yl]acetamide (PubChem CID 123370792) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is N-[6-amino-2-hydroxy-4-(hydroxymethyl)cyclohex-3-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[6-amino-2-hydroxy-4-(hydroxymethyl)cyclohex-3-en-1-yl]acetamide
PubChem CID123370792
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC NameN-[6-amino-2-hydroxy-4-(hydroxymethyl)cyclohex-3-en-1-yl]acetamide
SMILESCC(=O)NC1C(O)C=C(CO)CC1N
InChIInChI=1S/C9H16N2O3/c1-5(13)11-9-7(10)2-6(4-12)3-8(9)14/h3,7-9,12,14H,2,4,10H2,1H3,(H,11,13)
InChIKeyBHRDJLRTXLTTAR-UHFFFAOYSA-N
XLogP-1.50
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-2-hydroxy-4-(hydroxymethyl)cyclohex-3-en-1-yl]acetamide?
The IUPAC name of N-[6-amino-2-hydroxy-4-(hydroxymethyl)cyclohex-3-en-1-yl]acetamide (CID 123370792) is N-[6-amino-2-hydroxy-4-(hydroxymethyl)cyclohex-3-en-1-yl]acetamide.
What is the SMILES notation for N-[6-amino-2-hydroxy-4-(hydroxymethyl)cyclohex-3-en-1-yl]acetamide?
The canonical SMILES for N-[6-amino-2-hydroxy-4-(hydroxymethyl)cyclohex-3-en-1-yl]acetamide is CC(=O)NC1C(O)C=C(CO)CC1N.
What is the InChIKey of N-[6-amino-2-hydroxy-4-(hydroxymethyl)cyclohex-3-en-1-yl]acetamide?
The InChIKey is BHRDJLRTXLTTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-5(13)11-9-7(10)2-6(4-12)3-8(9)14/h3,7-9,12,14H,2,4,10H2,1H3,(H,11,13).
What are the key properties of N-[6-amino-2-hydroxy-4-(hydroxymethyl)cyclohex-3-en-1-yl]acetamide?
N-[6-amino-2-hydroxy-4-(hydroxymethyl)cyclohex-3-en-1-yl]acetamide has a molecular weight of 200.24 g/mol, XLogP of -1.50, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-2-hydroxy-4-(hydroxymethyl)cyclohex-3-en-1-yl]acetamide is sourced from PubChem (CID 123370792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).