(Z)-2-(dipropylamino)-3-(5-nitrofuran-2-yl)prop-2-enehydrazide

C13H20N4O4 — CID 6434137

IUPAC(Z)-2-(dipropylamino)-3-(5-nitrofuran-2-yl)prop-2-enehydrazide
SMILESCCCN(CCC)/C(=C\c1ccc([N+](=O)[O-])o1)C(=O)NN
InChIInChI=1S/C13H20N4O4/c1-3-7-16(8-4-2)11(13(18)15-14)9-10-5-6-12(21-10)17(19)20/h5-6,9H,3-4,7-8,14H2,1-2H3,(H,15,18)/b11-9-
InChIKeyPWJDQGYCPYBAEA-LUAWRHEFSA-N
MW296.33 g/mol
LogP1.64
Rot. Bonds8

About (Z)-2-(dipropylamino)-3-(5-nitrofuran-2-yl)prop-2-enehydrazide

(Z)-2-(dipropylamino)-3-(5-nitrofuran-2-yl)prop-2-enehydrazide (PubChem CID 6434137) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is (Z)-2-(dipropylamino)-3-(5-nitrofuran-2-yl)prop-2-enehydrazide.

Molecular Properties

Compound Name(Z)-2-(dipropylamino)-3-(5-nitrofuran-2-yl)prop-2-enehydrazide
PubChem CID6434137
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name(Z)-2-(dipropylamino)-3-(5-nitrofuran-2-yl)prop-2-enehydrazide
SMILESCCCN(CCC)/C(=C\c1ccc([N+](=O)[O-])o1)C(=O)NN
InChIInChI=1S/C13H20N4O4/c1-3-7-16(8-4-2)11(13(18)15-14)9-10-5-6-12(21-10)17(19)20/h5-6,9H,3-4,7-8,14H2,1-2H3,(H,15,18)/b11-9-
InChIKeyPWJDQGYCPYBAEA-LUAWRHEFSA-N
XLogP1.64
TPSA114.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

copper;bis((3E)-3-[(5-nitrofuran-2-yl)methylidene]-1,1-dipropylthiourea);dichloride
CID 11787349
2-[(5-nitrofuran-2-yl)methylidene]butan-1-amine
CID 79323180
N-methyl-2-[(5-nitrofuran-2-yl)methylidene]butan-1-amine
CID 79329289
(Z)-2-methyl-3-(5-nitrofuran-2-yl)prop-2-enoate
CID 6934520
propyl 2-cyano-3-(5-nitrofuran-2-yl)prop-2-enoate
CID 70542733
(E)-N-ethyl-3-methyl-4-(5-nitrofuran-2-yl)but-3-en-2-amine
CID 103093496
(E)-4-(5-nitrofuran-2-yl)-N-propylbut-3-en-2-amine
CID 103092876
methyl (E)-3-(5-nitrofuran-2-yl)-2-phenylprop-2-enoate
CID 20519566
2-(2-carbamoylhydrazinyl)-3-(5-nitrofuran-2-yl)prop-2-enoic acid
CID 20981860
ethyl N-butyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]carbamate
CID 134102406
N,N-dimethylformamide;[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
CID 174920742
N-[2-methyl-3-(5-nitrofuran-2-yl)prop-2-enyl]cyclopropanamine
CID 79340423

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(dipropylamino)-3-(5-nitrofuran-2-yl)prop-2-enehydrazide?
The IUPAC name of (Z)-2-(dipropylamino)-3-(5-nitrofuran-2-yl)prop-2-enehydrazide (CID 6434137) is (Z)-2-(dipropylamino)-3-(5-nitrofuran-2-yl)prop-2-enehydrazide.
What is the SMILES notation for (Z)-2-(dipropylamino)-3-(5-nitrofuran-2-yl)prop-2-enehydrazide?
The canonical SMILES for (Z)-2-(dipropylamino)-3-(5-nitrofuran-2-yl)prop-2-enehydrazide is CCCN(CCC)/C(=C\c1ccc([N+](=O)[O-])o1)C(=O)NN.
What is the InChIKey of (Z)-2-(dipropylamino)-3-(5-nitrofuran-2-yl)prop-2-enehydrazide?
The InChIKey is PWJDQGYCPYBAEA-LUAWRHEFSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-3-7-16(8-4-2)11(13(18)15-14)9-10-5-6-12(21-10)17(19)20/h5-6,9H,3-4,7-8,14H2,1-2H3,(H,15,18)/b11-9-.
What are the key properties of (Z)-2-(dipropylamino)-3-(5-nitrofuran-2-yl)prop-2-enehydrazide?
(Z)-2-(dipropylamino)-3-(5-nitrofuran-2-yl)prop-2-enehydrazide has a molecular weight of 296.33 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(dipropylamino)-3-(5-nitrofuran-2-yl)prop-2-enehydrazide is sourced from PubChem (CID 6434137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).