3-aminobut-3-en-1-ol

C4H9NO — CID 22600652

IUPAC3-aminobut-3-en-1-ol
SMILESC=C(N)CCO
InChIInChI=1S/C4H9NO/c1-4(5)2-3-6/h6H,1-3,5H2
InChIKeyYKYDQWMRZFJILL-UHFFFAOYSA-N
MW87.12 g/mol
LogP-0.16
Rot. Bonds2

About 3-aminobut-3-en-1-ol

3-aminobut-3-en-1-ol (PubChem CID 22600652) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is 3-aminobut-3-en-1-ol.

Molecular Properties

Compound Name3-aminobut-3-en-1-ol
PubChem CID22600652
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Name3-aminobut-3-en-1-ol
SMILESC=C(N)CCO
InChIInChI=1S/C4H9NO/c1-4(5)2-3-6/h6H,1-3,5H2
InChIKeyYKYDQWMRZFJILL-UHFFFAOYSA-N
XLogP-0.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-2-aminobut-1-en-1-ol
CID 20465493
4-Aminopent-4-en-2-ol
CID 88961101
4-Aminopent-3-en-1-ol
CID 89379777
(2S)-3-amino-2-methylbut-3-en-1-ol
CID 137504227
3-Amino-2,2-dimethylbut-3-en-1-ol
CID 141959271
3-Amino-2-methylbut-3-en-1-ol
CID 143544491
(2R)-3-amino-2-methylbut-3-en-1-ol
CID 145493062
(E)-4-aminohex-3-en-1-ol
CID 148616354
3,4-Diaminobut-3-en-1-ol
CID 151883697
3-Aminopent-3-en-1-ol
CID 153933629
2-Aminobut-1-en-1-ol
CID 154169149
(E)-4-aminopent-3-en-1-ol
CID 154532722

Frequently Asked Questions

What is the IUPAC name of 3-aminobut-3-en-1-ol?
The IUPAC name of 3-aminobut-3-en-1-ol (CID 22600652) is 3-aminobut-3-en-1-ol.
What is the SMILES notation for 3-aminobut-3-en-1-ol?
The canonical SMILES for 3-aminobut-3-en-1-ol is C=C(N)CCO.
What is the InChIKey of 3-aminobut-3-en-1-ol?
The InChIKey is YKYDQWMRZFJILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO/c1-4(5)2-3-6/h6H,1-3,5H2.
What are the key properties of 3-aminobut-3-en-1-ol?
3-aminobut-3-en-1-ol has a molecular weight of 87.12 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminobut-3-en-1-ol is sourced from PubChem (CID 22600652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).