(1Z)-1-[dihydroxy(methylidene)-λ5-phosphanyl]-1-(methylideneamino)buta-1,3-dien-2-amine;ethane

C8H17N2O2P — CID 156802390

IUPAC(1Z)-1-[dihydroxy(methylidene)-λ5-phosphanyl]-1-(methylideneamino)buta-1,3-dien-2-amine;ethane
SMILESC=C/C(N)=C(\N=C)P(=C)(O)O.CC
InChIInChI=1S/C6H11N2O2P.C2H6/c1-4-5(7)6(8-2)11(3,9)10;1-2/h4,9-10H,1-3,7H2;1-2H3/b6-5-;
InChIKeyJYFXAGMKNQBWMQ-YSMBQZINSA-N
MW204.21 g/mol
LogP1.29
Rot. Bonds3

About (1Z)-1-[dihydroxy(methylidene)-λ5-phosphanyl]-1-(methylideneamino)buta-1,3-dien-2-amine;ethane

(1Z)-1-[dihydroxy(methylidene)-λ5-phosphanyl]-1-(methylideneamino)buta-1,3-dien-2-amine;ethane (PubChem CID 156802390) has the molecular formula C8H17N2O2P and a molecular weight of 204.21 g/mol. Its IUPAC name is (1Z)-1-[dihydroxy(methylidene)-λ5-phosphanyl]-1-(methylideneamino)buta-1,3-dien-2-amine;ethane.

Molecular Properties

Compound Name(1Z)-1-[dihydroxy(methylidene)-λ5-phosphanyl]-1-(methylideneamino)buta-1,3-dien-2-amine;ethane
PubChem CID156802390
Molecular FormulaC8H17N2O2P
Molecular Weight204.21 g/mol
Exact Mass204.10
IUPAC Name(1Z)-1-[dihydroxy(methylidene)-λ5-phosphanyl]-1-(methylideneamino)buta-1,3-dien-2-amine;ethane
SMILESC=C/C(N)=C(\N=C)P(=C)(O)O.CC
InChIInChI=1S/C6H11N2O2P.C2H6/c1-4-5(7)6(8-2)11(3,9)10;1-2/h4,9-10H,1-3,7H2;1-2H3/b6-5-;
InChIKeyJYFXAGMKNQBWMQ-YSMBQZINSA-N
XLogP1.29
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[dihydroxy(methylidene)-λ5-phosphanyl]-1-(methylideneamino)buta-1,3-dien-2-amine;ethane?
The IUPAC name of (1Z)-1-[dihydroxy(methylidene)-λ5-phosphanyl]-1-(methylideneamino)buta-1,3-dien-2-amine;ethane (CID 156802390) is (1Z)-1-[dihydroxy(methylidene)-λ5-phosphanyl]-1-(methylideneamino)buta-1,3-dien-2-amine;ethane.
What is the SMILES notation for (1Z)-1-[dihydroxy(methylidene)-λ5-phosphanyl]-1-(methylideneamino)buta-1,3-dien-2-amine;ethane?
The canonical SMILES for (1Z)-1-[dihydroxy(methylidene)-λ5-phosphanyl]-1-(methylideneamino)buta-1,3-dien-2-amine;ethane is C=C/C(N)=C(\N=C)P(=C)(O)O.CC.
What is the InChIKey of (1Z)-1-[dihydroxy(methylidene)-λ5-phosphanyl]-1-(methylideneamino)buta-1,3-dien-2-amine;ethane?
The InChIKey is JYFXAGMKNQBWMQ-YSMBQZINSA-N. The full InChI is InChI=1S/C6H11N2O2P.C2H6/c1-4-5(7)6(8-2)11(3,9)10;1-2/h4,9-10H,1-3,7H2;1-2H3/b6-5-;.
What are the key properties of (1Z)-1-[dihydroxy(methylidene)-λ5-phosphanyl]-1-(methylideneamino)buta-1,3-dien-2-amine;ethane?
(1Z)-1-[dihydroxy(methylidene)-λ5-phosphanyl]-1-(methylideneamino)buta-1,3-dien-2-amine;ethane has a molecular weight of 204.21 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[dihydroxy(methylidene)-λ5-phosphanyl]-1-(methylideneamino)buta-1,3-dien-2-amine;ethane is sourced from PubChem (CID 156802390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).