(Z)-1,3-diamino-2-methylprop-2-en-1-ol

C4H10N2O — CID 90246451

IUPAC(Z)-1,3-diamino-2-methylprop-2-en-1-ol
SMILESC/C(=C/N)C(N)O
InChIInChI=1S/C4H10N2O/c1-3(2-5)4(6)7/h2,4,7H,5-6H2,1H3/b3-2-
InChIKeyUPNLUTDKYLESLS-IHWYPQMZSA-N
MW102.14 g/mol
LogP-0.87
Rot. Bonds1

About (Z)-1,3-diamino-2-methylprop-2-en-1-ol

(Z)-1,3-diamino-2-methylprop-2-en-1-ol (PubChem CID 90246451) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is (Z)-1,3-diamino-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-1,3-diamino-2-methylprop-2-en-1-ol
PubChem CID90246451
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC Name(Z)-1,3-diamino-2-methylprop-2-en-1-ol
SMILESC/C(=C/N)C(N)O
InChIInChI=1S/C4H10N2O/c1-3(2-5)4(6)7/h2,4,7H,5-6H2,1H3/b3-2-
InChIKeyUPNLUTDKYLESLS-IHWYPQMZSA-N
XLogP-0.87
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,3-diamino-2-methylprop-2-en-1-ol?
The IUPAC name of (Z)-1,3-diamino-2-methylprop-2-en-1-ol (CID 90246451) is (Z)-1,3-diamino-2-methylprop-2-en-1-ol.
What is the SMILES notation for (Z)-1,3-diamino-2-methylprop-2-en-1-ol?
The canonical SMILES for (Z)-1,3-diamino-2-methylprop-2-en-1-ol is C/C(=C/N)C(N)O.
What is the InChIKey of (Z)-1,3-diamino-2-methylprop-2-en-1-ol?
The InChIKey is UPNLUTDKYLESLS-IHWYPQMZSA-N. The full InChI is InChI=1S/C4H10N2O/c1-3(2-5)4(6)7/h2,4,7H,5-6H2,1H3/b3-2-.
What are the key properties of (Z)-1,3-diamino-2-methylprop-2-en-1-ol?
(Z)-1,3-diamino-2-methylprop-2-en-1-ol has a molecular weight of 102.14 g/mol, XLogP of -0.87, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,3-diamino-2-methylprop-2-en-1-ol is sourced from PubChem (CID 90246451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).