3,4-diaminobut-3-en-1-ol

C4H10N2O — CID 151883697

IUPAC3,4-diaminobut-3-en-1-ol
SMILESNC=C(N)CCO
InChIInChI=1S/C4H10N2O/c5-3-4(6)1-2-7/h3,7H,1-2,5-6H2
InChIKeySPGIMAMRKXMBPI-UHFFFAOYSA-N
MW102.14 g/mol
LogP-0.87
Rot. Bonds2

About 3,4-diaminobut-3-en-1-ol

3,4-diaminobut-3-en-1-ol (PubChem CID 151883697) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is 3,4-diaminobut-3-en-1-ol.

Molecular Properties

Compound Name3,4-diaminobut-3-en-1-ol
PubChem CID151883697
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC Name3,4-diaminobut-3-en-1-ol
SMILESNC=C(N)CCO
InChIInChI=1S/C4H10N2O/c5-3-4(6)1-2-7/h3,7H,1-2,5-6H2
InChIKeySPGIMAMRKXMBPI-UHFFFAOYSA-N
XLogP-0.87
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of 3,4-diaminobut-3-en-1-ol?
The IUPAC name of 3,4-diaminobut-3-en-1-ol (CID 151883697) is 3,4-diaminobut-3-en-1-ol.
What is the SMILES notation for 3,4-diaminobut-3-en-1-ol?
The canonical SMILES for 3,4-diaminobut-3-en-1-ol is NC=C(N)CCO.
What is the InChIKey of 3,4-diaminobut-3-en-1-ol?
The InChIKey is SPGIMAMRKXMBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O/c5-3-4(6)1-2-7/h3,7H,1-2,5-6H2.
What are the key properties of 3,4-diaminobut-3-en-1-ol?
3,4-diaminobut-3-en-1-ol has a molecular weight of 102.14 g/mol, XLogP of -0.87, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diaminobut-3-en-1-ol is sourced from PubChem (CID 151883697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).