(Z)-3-amino-N-(methylideneamino)but-2-enamide

C5H9N3O — CID 129066381

IUPAC(Z)-3-amino-N-(methylideneamino)but-2-enamide
SMILESC=NNC(=O)/C=C(/C)N
InChIInChI=1S/C5H9N3O/c1-4(6)3-5(9)8-7-2/h3H,2,6H2,1H3,(H,8,9)/b4-3-
InChIKeyZGBCWHWOTRUCPZ-ARJAWSKDSA-N
MW127.15 g/mol
LogP-0.42
Rot. Bonds2

About (Z)-3-amino-N-(methylideneamino)but-2-enamide

(Z)-3-amino-N-(methylideneamino)but-2-enamide (PubChem CID 129066381) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is (Z)-3-amino-N-(methylideneamino)but-2-enamide.

Molecular Properties

Compound Name(Z)-3-amino-N-(methylideneamino)but-2-enamide
PubChem CID129066381
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name(Z)-3-amino-N-(methylideneamino)but-2-enamide
SMILESC=NNC(=O)/C=C(/C)N
InChIInChI=1S/C5H9N3O/c1-4(6)3-5(9)8-7-2/h3H,2,6H2,1H3,(H,8,9)/b4-3-
InChIKeyZGBCWHWOTRUCPZ-ARJAWSKDSA-N
XLogP-0.42
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-amino-N-propan-2-ylbut-2-enamide
CID 55280984
2,6-diaminohepta-2,5-dien-4-one
CID 74377910
3-(2-methylidenehydrazinyl)but-3-en-2-one
CID 163670052
N-(methylideneamino)prop-1-en-2-amine
CID 58051997
2-amino-6-methylhepta-2,5-dien-4-one
CID 140829614
(2E,4Z)-N-(methylideneamino)-2-prop-1-en-2-ylhexa-2,4-dienamide
CID 176580787
(5Z)-2-amino-6-methylocta-2,5,7-trien-4-one
CID 163530566
(2E,4E)-4-chloro-5-(methylideneamino)penta-2,4-dien-2-amine
CID 138700894
(3E,5Z)-5-methyl-N-(methylideneamino)octa-1,3,5,7-tetraen-4-amine
CID 166800420
2-[[(Z)-4-oxopent-2-en-2-yl]amino]guanidine
CID 6420456
(2E,4Z)-5-(methylideneamino)penta-2,4-dien-2-amine
CID 89331751
(Z)-4-prop-1-en-2-yliminopent-2-en-2-amine
CID 142163873

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-N-(methylideneamino)but-2-enamide?
The IUPAC name of (Z)-3-amino-N-(methylideneamino)but-2-enamide (CID 129066381) is (Z)-3-amino-N-(methylideneamino)but-2-enamide.
What is the SMILES notation for (Z)-3-amino-N-(methylideneamino)but-2-enamide?
The canonical SMILES for (Z)-3-amino-N-(methylideneamino)but-2-enamide is C=NNC(=O)/C=C(/C)N.
What is the InChIKey of (Z)-3-amino-N-(methylideneamino)but-2-enamide?
The InChIKey is ZGBCWHWOTRUCPZ-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H9N3O/c1-4(6)3-5(9)8-7-2/h3H,2,6H2,1H3,(H,8,9)/b4-3-.
What are the key properties of (Z)-3-amino-N-(methylideneamino)but-2-enamide?
(Z)-3-amino-N-(methylideneamino)but-2-enamide has a molecular weight of 127.15 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-N-(methylideneamino)but-2-enamide is sourced from PubChem (CID 129066381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).