(E,2E)-3-amino-2-[(methylideneamino)methylidene]pent-3-enal;methoxymethane

C9H16N2O2 — CID 153392281

IUPAC(E,2E)-3-amino-2-[(methylideneamino)methylidene]pent-3-enal;methoxymethane
SMILESC=N/C=C(C=O)\C(N)=C/C.COC
InChIInChI=1S/C7H10N2O.C2H6O/c1-3-7(8)6(5-10)4-9-2;1-3-2/h3-5H,2,8H2,1H3;1-2H3/b6-4-,7-3+;
InChIKeyRTMIHPVVKPNXQQ-VIEOHVPFSA-N
MW184.24 g/mol
LogP0.89
Rot. Bonds3

About (E,2E)-3-amino-2-[(methylideneamino)methylidene]pent-3-enal;methoxymethane

(E,2E)-3-amino-2-[(methylideneamino)methylidene]pent-3-enal;methoxymethane (PubChem CID 153392281) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (E,2E)-3-amino-2-[(methylideneamino)methylidene]pent-3-enal;methoxymethane.

Molecular Properties

Compound Name(E,2E)-3-amino-2-[(methylideneamino)methylidene]pent-3-enal;methoxymethane
PubChem CID153392281
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(E,2E)-3-amino-2-[(methylideneamino)methylidene]pent-3-enal;methoxymethane
SMILESC=N/C=C(C=O)\C(N)=C/C.COC
InChIInChI=1S/C7H10N2O.C2H6O/c1-3-7(8)6(5-10)4-9-2;1-3-2/h3-5H,2,8H2,1H3;1-2H3/b6-4-,7-3+;
InChIKeyRTMIHPVVKPNXQQ-VIEOHVPFSA-N
XLogP0.89
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E,2E)-3-methoxy-2-[(methylideneamino)methylidene]pent-3-enal
CID 176567543
methyl (Z,2E)-2-[(methylideneamino)methylidene]pent-3-enoate
CID 175637730
methyl (E)-2-amino-N-ethenylbut-2-enimidate
CID 143656646
(Z)-2-amino-3-(methylideneamino)-1-phosphanylprop-2-en-1-one
CID 161415008
methyl (E)-2-aminobut-2-enoate
CID 19894054
(2E)-4-[(Z)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-3-amine
CID 146426453
ethane;methanamine;(3Z)-3-[(methylideneamino)methylidene]pent-4-enal
CID 143775554
(3E,5Z,7Z)-5,8-diamino-3-[(methylideneamino)methylidene]octa-1,5,7-trien-4-one
CID 169189998
methyl (E)-2-formylbut-2-enoate
CID 13359377
N-[(Z)-1-methoxyprop-1-enyl]methanimine
CID 144898882
(Z)-1-ethoxy-2-(methylideneamino)ethenol
CID 20753163
N-[(1Z,3E)-2-ethenyl-3-(methylideneamino)penta-1,3-dienyl]methanimine
CID 130351407

Frequently Asked Questions

What is the IUPAC name of (E,2E)-3-amino-2-[(methylideneamino)methylidene]pent-3-enal;methoxymethane?
The IUPAC name of (E,2E)-3-amino-2-[(methylideneamino)methylidene]pent-3-enal;methoxymethane (CID 153392281) is (E,2E)-3-amino-2-[(methylideneamino)methylidene]pent-3-enal;methoxymethane.
What is the SMILES notation for (E,2E)-3-amino-2-[(methylideneamino)methylidene]pent-3-enal;methoxymethane?
The canonical SMILES for (E,2E)-3-amino-2-[(methylideneamino)methylidene]pent-3-enal;methoxymethane is C=N/C=C(C=O)\C(N)=C/C.COC.
What is the InChIKey of (E,2E)-3-amino-2-[(methylideneamino)methylidene]pent-3-enal;methoxymethane?
The InChIKey is RTMIHPVVKPNXQQ-VIEOHVPFSA-N. The full InChI is InChI=1S/C7H10N2O.C2H6O/c1-3-7(8)6(5-10)4-9-2;1-3-2/h3-5H,2,8H2,1H3;1-2H3/b6-4-,7-3+;.
What are the key properties of (E,2E)-3-amino-2-[(methylideneamino)methylidene]pent-3-enal;methoxymethane?
(E,2E)-3-amino-2-[(methylideneamino)methylidene]pent-3-enal;methoxymethane has a molecular weight of 184.24 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2E)-3-amino-2-[(methylideneamino)methylidene]pent-3-enal;methoxymethane is sourced from PubChem (CID 153392281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).