(3Z)-3-(formylhydrazinylidene)-N-(furan-2-ylmethyl)butanamide

C10H13N3O3 — CID 6378047

IUPAC(3Z)-3-(formylhydrazinylidene)-N-(furan-2-ylmethyl)butanamide
SMILESC/C(CC(=O)NCc1ccco1)=N/NC=O
InChIInChI=1S/C10H13N3O3/c1-8(13-12-7-14)5-10(15)11-6-9-3-2-4-16-9/h2-4,7H,5-6H2,1H3,(H,11,15)(H,12,14)/b13-8-
InChIKeyORZRHTLCAWRYLP-JYRVWZFOSA-N
MW223.23 g/mol
LogP0.41
Rot. Bonds6

About (3Z)-3-(formylhydrazinylidene)-N-(furan-2-ylmethyl)butanamide

(3Z)-3-(formylhydrazinylidene)-N-(furan-2-ylmethyl)butanamide (PubChem CID 6378047) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is (3Z)-3-(formylhydrazinylidene)-N-(furan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name(3Z)-3-(formylhydrazinylidene)-N-(furan-2-ylmethyl)butanamide
PubChem CID6378047
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name(3Z)-3-(formylhydrazinylidene)-N-(furan-2-ylmethyl)butanamide
SMILESC/C(CC(=O)NCc1ccco1)=N/NC=O
InChIInChI=1S/C10H13N3O3/c1-8(13-12-7-14)5-10(15)11-6-9-3-2-4-16-9/h2-4,7H,5-6H2,1H3,(H,11,15)(H,12,14)/b13-8-
InChIKeyORZRHTLCAWRYLP-JYRVWZFOSA-N
XLogP0.41
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-(carbamoylhydrazinylidene)-N-(furan-2-ylmethyl)butanamide
CID 6371240
N-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide
CID 3101336
N'-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(2-methylpropyl)oxamide
CID 6376560
N-[(E)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]cyclohexanecarboxamide
CID 6270943
N-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide
CID 6379341
N-(furan-2-ylmethyl)acetamide
CID 2394850
N'-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide
CID 3101332
(3Z)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(furan-2-ylmethyl)butanamide
CID 6283145
(3Z)-3-amino-N-(furan-2-ylmethyl)-3-hydroxyiminopropanamide
CID 16772157
2-amino-N-(furan-2-ylmethyl)acetamide
CID 7130773
(3Z)-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]-N-(furan-2-ylmethyl)butanamide
CID 98156361
N-(furan-2-ylmethyl)-N'-(propan-2-ylideneamino)oxamide
CID 21211556

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(formylhydrazinylidene)-N-(furan-2-ylmethyl)butanamide?
The IUPAC name of (3Z)-3-(formylhydrazinylidene)-N-(furan-2-ylmethyl)butanamide (CID 6378047) is (3Z)-3-(formylhydrazinylidene)-N-(furan-2-ylmethyl)butanamide.
What is the SMILES notation for (3Z)-3-(formylhydrazinylidene)-N-(furan-2-ylmethyl)butanamide?
The canonical SMILES for (3Z)-3-(formylhydrazinylidene)-N-(furan-2-ylmethyl)butanamide is C/C(CC(=O)NCc1ccco1)=N/NC=O.
What is the InChIKey of (3Z)-3-(formylhydrazinylidene)-N-(furan-2-ylmethyl)butanamide?
The InChIKey is ORZRHTLCAWRYLP-JYRVWZFOSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-8(13-12-7-14)5-10(15)11-6-9-3-2-4-16-9/h2-4,7H,5-6H2,1H3,(H,11,15)(H,12,14)/b13-8-.
What are the key properties of (3Z)-3-(formylhydrazinylidene)-N-(furan-2-ylmethyl)butanamide?
(3Z)-3-(formylhydrazinylidene)-N-(furan-2-ylmethyl)butanamide has a molecular weight of 223.23 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(formylhydrazinylidene)-N-(furan-2-ylmethyl)butanamide is sourced from PubChem (CID 6378047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).