N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-N-methyloxane-4-carboxamide

C11H21N3O3 — CID 55176279

IUPACN-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-N-methyloxane-4-carboxamide
SMILESCC(C/C(N)=N/O)N(C)C(=O)C1CCOCC1
InChIInChI=1S/C11H21N3O3/c1-8(7-10(12)13-16)14(2)11(15)9-3-5-17-6-4-9/h8-9,16H,3-7H2,1-2H3,(H2,12,13)
InChIKeyXNXSYWDKOYWXCR-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.40
Rot. Bonds4

About N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-N-methyloxane-4-carboxamide

N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-N-methyloxane-4-carboxamide (PubChem CID 55176279) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-N-methyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-N-methyloxane-4-carboxamide
PubChem CID55176279
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC NameN-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-N-methyloxane-4-carboxamide
SMILESCC(C/C(N)=N/O)N(C)C(=O)C1CCOCC1
InChIInChI=1S/C11H21N3O3/c1-8(7-10(12)13-16)14(2)11(15)9-3-5-17-6-4-9/h8-9,16H,3-7H2,1-2H3,(H2,12,13)
InChIKeyXNXSYWDKOYWXCR-UHFFFAOYSA-N
XLogP0.40
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-N-methyloxane-4-carboxamide?
The IUPAC name of N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-N-methyloxane-4-carboxamide (CID 55176279) is N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-N-methyloxane-4-carboxamide.
What is the SMILES notation for N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-N-methyloxane-4-carboxamide?
The canonical SMILES for N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-N-methyloxane-4-carboxamide is CC(C/C(N)=N/O)N(C)C(=O)C1CCOCC1.
What is the InChIKey of N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-N-methyloxane-4-carboxamide?
The InChIKey is XNXSYWDKOYWXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-8(7-10(12)13-16)14(2)11(15)9-3-5-17-6-4-9/h8-9,16H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-N-methyloxane-4-carboxamide?
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-N-methyloxane-4-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-N-methyloxane-4-carboxamide is sourced from PubChem (CID 55176279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).