(3Z)-3-amino-N-(furan-2-ylmethyl)-3-hydroxyiminopropanamide

C8H11N3O3 — CID 16772157

IUPAC(3Z)-3-amino-N-(furan-2-ylmethyl)-3-hydroxyiminopropanamide
SMILESN/C(CC(=O)NCc1ccco1)=N\O
InChIInChI=1S/C8H11N3O3/c9-7(11-13)4-8(12)10-5-6-2-1-3-14-6/h1-3,13H,4-5H2,(H2,9,11)(H,10,12)
InChIKeyXDQMQKGEIGSZSJ-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.03
Rot. Bonds4

About (3Z)-3-amino-N-(furan-2-ylmethyl)-3-hydroxyiminopropanamide

(3Z)-3-amino-N-(furan-2-ylmethyl)-3-hydroxyiminopropanamide (PubChem CID 16772157) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is (3Z)-3-amino-N-(furan-2-ylmethyl)-3-hydroxyiminopropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-N-(furan-2-ylmethyl)-3-hydroxyiminopropanamide
PubChem CID16772157
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name(3Z)-3-amino-N-(furan-2-ylmethyl)-3-hydroxyiminopropanamide
SMILESN/C(CC(=O)NCc1ccco1)=N\O
InChIInChI=1S/C8H11N3O3/c9-7(11-13)4-8(12)10-5-6-2-1-3-14-6/h1-3,13H,4-5H2,(H2,9,11)(H,10,12)
InChIKeyXDQMQKGEIGSZSJ-UHFFFAOYSA-N
XLogP0.03
TPSA100.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.03
H-Bond Donors ≤ 53
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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Related Compounds

2-amino-N-(furan-2-ylmethyl)acetamide
CID 7130773
(3Z)-3-(carbamoylhydrazinylidene)-N-(furan-2-ylmethyl)butanamide
CID 6371240
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 110914043
3-amino-N-(furan-2-ylmethyl)butanamide
CID 60835501
N-(furan-2-ylmethyl)acetamide
CID 2394850
N-(furan-2-ylmethyl)-2-(1,2-oxazol-3-yl)acetamide
CID 110850493
N-(furan-2-ylmethyl)-2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]cyclopentyl]acetamide
CID 134025362
4-(furan-2-ylmethylamino)-N'-hydroxybutanimidamide
CID 77029971
3-amino-N-[(2-ethylphenyl)methyl]-3-hydroxyiminopropanamide
CID 77052028
2-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]acetic acid
CID 82042115
4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 27649984

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-N-(furan-2-ylmethyl)-3-hydroxyiminopropanamide?
The IUPAC name of (3Z)-3-amino-N-(furan-2-ylmethyl)-3-hydroxyiminopropanamide (CID 16772157) is (3Z)-3-amino-N-(furan-2-ylmethyl)-3-hydroxyiminopropanamide.
What is the SMILES notation for (3Z)-3-amino-N-(furan-2-ylmethyl)-3-hydroxyiminopropanamide?
The canonical SMILES for (3Z)-3-amino-N-(furan-2-ylmethyl)-3-hydroxyiminopropanamide is N/C(CC(=O)NCc1ccco1)=N\O.
What is the InChIKey of (3Z)-3-amino-N-(furan-2-ylmethyl)-3-hydroxyiminopropanamide?
The InChIKey is XDQMQKGEIGSZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c9-7(11-13)4-8(12)10-5-6-2-1-3-14-6/h1-3,13H,4-5H2,(H2,9,11)(H,10,12).
What are the key properties of (3Z)-3-amino-N-(furan-2-ylmethyl)-3-hydroxyiminopropanamide?
(3Z)-3-amino-N-(furan-2-ylmethyl)-3-hydroxyiminopropanamide has a molecular weight of 197.19 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-N-(furan-2-ylmethyl)-3-hydroxyiminopropanamide is sourced from PubChem (CID 16772157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).