(Z)-2-amino-3-(methylideneamino)-1-phosphanylprop-2-en-1-one

C4H7N2OP — CID 161415008

IUPAC(Z)-2-amino-3-(methylideneamino)-1-phosphanylprop-2-en-1-one
SMILESC=N/C=C(\N)C(=O)P
InChIInChI=1S/C4H7N2OP/c1-6-2-3(5)4(7)8/h2H,1,5,8H2/b3-2-
InChIKeyVVYTYGRXPJKXSH-IHWYPQMZSA-N
MW130.09 g/mol
LogP-0.11
Rot. Bonds2

About (Z)-2-amino-3-(methylideneamino)-1-phosphanylprop-2-en-1-one

(Z)-2-amino-3-(methylideneamino)-1-phosphanylprop-2-en-1-one (PubChem CID 161415008) has the molecular formula C4H7N2OP and a molecular weight of 130.09 g/mol. Its IUPAC name is (Z)-2-amino-3-(methylideneamino)-1-phosphanylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-2-amino-3-(methylideneamino)-1-phosphanylprop-2-en-1-one
PubChem CID161415008
Molecular FormulaC4H7N2OP
Molecular Weight130.09 g/mol
Exact Mass130.03
IUPAC Name(Z)-2-amino-3-(methylideneamino)-1-phosphanylprop-2-en-1-one
SMILESC=N/C=C(\N)C(=O)P
InChIInChI=1S/C4H7N2OP/c1-6-2-3(5)4(7)8/h2H,1,5,8H2/b3-2-
InChIKeyVVYTYGRXPJKXSH-IHWYPQMZSA-N
XLogP-0.11
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.09
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
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': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(E,2E)-3-amino-2-[(methylideneamino)methylidene]pent-3-enal;methoxymethane
CID 153392281
3-methyl-4-(methylideneamino)but-3-en-2-one
CID 123257729
(3E,5Z,7Z)-5,8-diamino-3-[(methylideneamino)methylidene]octa-1,5,7-trien-4-one
CID 169189998
(3E)-4-(methylideneamino)-3-nitrobuta-1,3-dien-2-amine
CID 90399160
(2Z)-2-aminopenta-2,4-dienamide
CID 88558803
(1E)-2-methyl-1-(methylideneamino)penta-1,4-dien-3-one
CID 118428989
2-aminoprop-2-enamide
CID 3332061
3-amino-1-phosphanyl-2-sulfanylbut-2-en-1-one
CID 163919529
(2E,4E)-4-chloro-5-(methylideneamino)penta-2,4-dien-2-amine
CID 138700894
(E)-3,4-diamino-4-oxobut-2-enoic acid
CID 59912426
ethane;(2Z)-2-(methylideneamino)penta-2,4-dienamide
CID 144623229
[(E)-1,2-bis(methylideneamino)ethenyl] acetate
CID 143985283

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-3-(methylideneamino)-1-phosphanylprop-2-en-1-one?
The IUPAC name of (Z)-2-amino-3-(methylideneamino)-1-phosphanylprop-2-en-1-one (CID 161415008) is (Z)-2-amino-3-(methylideneamino)-1-phosphanylprop-2-en-1-one.
What is the SMILES notation for (Z)-2-amino-3-(methylideneamino)-1-phosphanylprop-2-en-1-one?
The canonical SMILES for (Z)-2-amino-3-(methylideneamino)-1-phosphanylprop-2-en-1-one is C=N/C=C(\N)C(=O)P.
What is the InChIKey of (Z)-2-amino-3-(methylideneamino)-1-phosphanylprop-2-en-1-one?
The InChIKey is VVYTYGRXPJKXSH-IHWYPQMZSA-N. The full InChI is InChI=1S/C4H7N2OP/c1-6-2-3(5)4(7)8/h2H,1,5,8H2/b3-2-.
What are the key properties of (Z)-2-amino-3-(methylideneamino)-1-phosphanylprop-2-en-1-one?
(Z)-2-amino-3-(methylideneamino)-1-phosphanylprop-2-en-1-one has a molecular weight of 130.09 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-(methylideneamino)-1-phosphanylprop-2-en-1-one is sourced from PubChem (CID 161415008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).