(Z)-but-2-enedihydrazide;2-chloro-N,N-bis(prop-2-enyl)acetamide

C12H20ClN5O3 — CID 88837634

IUPAC(Z)-but-2-enedihydrazide;2-chloro-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CCl.NNC(=O)/C=C\C(=O)NN
InChIInChI=1S/C8H12ClNO.C4H8N4O2/c1-3-5-10(6-4-2)8(11)7-9;5-7-3(9)1-2-4(10)8-6/h3-4H,1-2,5-7H2;1-2H,5-6H2,(H,7,9)(H,8,10)/b;2-1-
InChIKeyBRFJMFCQOJOOPM-BTJKTKAUSA-N
MW317.78 g/mol
LogP-1.05
Rot. Bonds7

About (Z)-but-2-enedihydrazide;2-chloro-N,N-bis(prop-2-enyl)acetamide

(Z)-but-2-enedihydrazide;2-chloro-N,N-bis(prop-2-enyl)acetamide (PubChem CID 88837634) has the molecular formula C12H20ClN5O3 and a molecular weight of 317.78 g/mol. Its IUPAC name is (Z)-but-2-enedihydrazide;2-chloro-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name(Z)-but-2-enedihydrazide;2-chloro-N,N-bis(prop-2-enyl)acetamide
PubChem CID88837634
Molecular FormulaC12H20ClN5O3
Molecular Weight317.78 g/mol
Exact Mass317.13
IUPAC Name(Z)-but-2-enedihydrazide;2-chloro-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CCl.NNC(=O)/C=C\C(=O)NN
InChIInChI=1S/C8H12ClNO.C4H8N4O2/c1-3-5-10(6-4-2)8(11)7-9;5-7-3(9)1-2-4(10)8-6/h3-4H,1-2,5-7H2;1-2H,5-6H2,(H,7,9)(H,8,10)/b;2-1-
InChIKeyBRFJMFCQOJOOPM-BTJKTKAUSA-N
XLogP-1.05
TPSA130.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N,N-bis(prop-2-enyl)acetamide;4-hydrazinyl-4-oxobut-2-enoic acid
CID 173460377
2-(2-chloroethyl)-1H-pyridazine-3,6-dione
CID 43135551
2-[(E)-4-chlorobut-2-enyl]-1H-pyridazine-3,6-dione
CID 64681013
2-(4-chlorobut-2-enyl)-1H-pyridazine-3,6-dione
CID 78996935

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedihydrazide;2-chloro-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of (Z)-but-2-enedihydrazide;2-chloro-N,N-bis(prop-2-enyl)acetamide (CID 88837634) is (Z)-but-2-enedihydrazide;2-chloro-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for (Z)-but-2-enedihydrazide;2-chloro-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for (Z)-but-2-enedihydrazide;2-chloro-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CCl.NNC(=O)/C=C\C(=O)NN.
What is the InChIKey of (Z)-but-2-enedihydrazide;2-chloro-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is BRFJMFCQOJOOPM-BTJKTKAUSA-N. The full InChI is InChI=1S/C8H12ClNO.C4H8N4O2/c1-3-5-10(6-4-2)8(11)7-9;5-7-3(9)1-2-4(10)8-6/h3-4H,1-2,5-7H2;1-2H,5-6H2,(H,7,9)(H,8,10)/b;2-1-.
What are the key properties of (Z)-but-2-enedihydrazide;2-chloro-N,N-bis(prop-2-enyl)acetamide?
(Z)-but-2-enedihydrazide;2-chloro-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 317.78 g/mol, XLogP of -1.05, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedihydrazide;2-chloro-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 88837634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).