(3R)-3-(methylamino)pent-4-en-2-ol

C6H13NO — CID 118882918

IUPAC(3R)-3-(methylamino)pent-4-en-2-ol
SMILESC=C[C@@H](NC)C(C)O
InChIInChI=1S/C6H13NO/c1-4-6(7-3)5(2)8/h4-8H,1H2,2-3H3/t5?,6-/m1/s1
InChIKeySCRZPJSSGJTNBB-PRJDIBJQSA-N
MW115.18 g/mol
LogP0.14
Rot. Bonds3

About (3R)-3-(methylamino)pent-4-en-2-ol

(3R)-3-(methylamino)pent-4-en-2-ol (PubChem CID 118882918) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (3R)-3-(methylamino)pent-4-en-2-ol.

Molecular Properties

Compound Name(3R)-3-(methylamino)pent-4-en-2-ol
PubChem CID118882918
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(3R)-3-(methylamino)pent-4-en-2-ol
SMILESC=C[C@@H](NC)C(C)O
InChIInChI=1S/C6H13NO/c1-4-6(7-3)5(2)8/h4-8H,1H2,2-3H3/t5?,6-/m1/s1
InChIKeySCRZPJSSGJTNBB-PRJDIBJQSA-N
XLogP0.14
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 ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N,5-dimethylhex-1-en-3-amine
CID 116719913
5-(methylamino)hex-1-en-3-ol
CID 143813054
4-ethoxy-N,5-dimethylhex-1-en-3-amine
CID 116721057
buta-1,3-diene;butane-2,3-diol;but-3-en-2-ol
CID 157123316
N-methylbut-3-en-2-amine;hydrochloride
CID 75525004
(2S)-1-(2-methoxy-2-methylpropoxy)-2-(methylamino)but-3-en-1-ol
CID 144582280
(2R,3S)-3-(propan-2-ylamino)pent-4-ene-1,2-diol
CID 15932901
(2S,3R)-3-aminopent-4-en-2-ol
CID 131375579
(2E)-2-methyl-1-(methylamino)penta-2,4-dien-1-ol
CID 134266797
(2R,3S)-3-methoxypent-4-en-2-ol
CID 12755461
(2R,3R,4S,5S)-3,5-dimethylhept-6-ene-2,4-diol
CID 100972297
1-(methylamino)ethanol;hydroiodide
CID 173051300

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methylamino)pent-4-en-2-ol?
The IUPAC name of (3R)-3-(methylamino)pent-4-en-2-ol (CID 118882918) is (3R)-3-(methylamino)pent-4-en-2-ol.
What is the SMILES notation for (3R)-3-(methylamino)pent-4-en-2-ol?
The canonical SMILES for (3R)-3-(methylamino)pent-4-en-2-ol is C=C[C@@H](NC)C(C)O.
What is the InChIKey of (3R)-3-(methylamino)pent-4-en-2-ol?
The InChIKey is SCRZPJSSGJTNBB-PRJDIBJQSA-N. The full InChI is InChI=1S/C6H13NO/c1-4-6(7-3)5(2)8/h4-8H,1H2,2-3H3/t5?,6-/m1/s1.
What are the key properties of (3R)-3-(methylamino)pent-4-en-2-ol?
(3R)-3-(methylamino)pent-4-en-2-ol has a molecular weight of 115.18 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methylamino)pent-4-en-2-ol is sourced from PubChem (CID 118882918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).