(Z)-1-(methylamino)pent-3-en-1-ol

C6H13NO — CID 143954579

IUPAC(Z)-1-(methylamino)pent-3-en-1-ol
SMILESC/C=C\CC(O)NC
InChIInChI=1S/C6H13NO/c1-3-4-5-6(8)7-2/h3-4,6-8H,5H2,1-2H3/b4-3-
InChIKeySYLOMGWCRHHSSD-ARJAWSKDSA-N
MW115.18 g/mol
LogP0.49
Rot. Bonds3

About (Z)-1-(methylamino)pent-3-en-1-ol

(Z)-1-(methylamino)pent-3-en-1-ol (PubChem CID 143954579) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (Z)-1-(methylamino)pent-3-en-1-ol.

Molecular Properties

Compound Name(Z)-1-(methylamino)pent-3-en-1-ol
PubChem CID143954579
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(Z)-1-(methylamino)pent-3-en-1-ol
SMILESC/C=C\CC(O)NC
InChIInChI=1S/C6H13NO/c1-3-4-5-6(8)7-2/h3-4,6-8H,5H2,1-2H3/b4-3-
InChIKeySYLOMGWCRHHSSD-ARJAWSKDSA-N
XLogP0.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(methylamino)pent-3-en-1-ol?
The IUPAC name of (Z)-1-(methylamino)pent-3-en-1-ol (CID 143954579) is (Z)-1-(methylamino)pent-3-en-1-ol.
What is the SMILES notation for (Z)-1-(methylamino)pent-3-en-1-ol?
The canonical SMILES for (Z)-1-(methylamino)pent-3-en-1-ol is C/C=C\CC(O)NC.
What is the InChIKey of (Z)-1-(methylamino)pent-3-en-1-ol?
The InChIKey is SYLOMGWCRHHSSD-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H13NO/c1-3-4-5-6(8)7-2/h3-4,6-8H,5H2,1-2H3/b4-3-.
What are the key properties of (Z)-1-(methylamino)pent-3-en-1-ol?
(Z)-1-(methylamino)pent-3-en-1-ol has a molecular weight of 115.18 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(methylamino)pent-3-en-1-ol is sourced from PubChem (CID 143954579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).