(E,2S)-2-aminopent-3-en-1-ol;hydrochloride

C5H12ClNO — CID 165429169

IUPAC(E,2S)-2-aminopent-3-en-1-ol;hydrochloride
SMILESC/C=C/[C@H](N)CO.Cl
InChIInChI=1S/C5H11NO.ClH/c1-2-3-5(6)4-7;/h2-3,5,7H,4,6H2,1H3;1H/b3-2+;/t5-;/m0./s1
InChIKeyCRFAWQZYIFSIMG-XWEJTXOPSA-N
MW137.61 g/mol
LogP0.30
Rot. Bonds2

About (E,2S)-2-aminopent-3-en-1-ol;hydrochloride

(E,2S)-2-aminopent-3-en-1-ol;hydrochloride (PubChem CID 165429169) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is (E,2S)-2-aminopent-3-en-1-ol;hydrochloride.

Molecular Properties

Compound Name(E,2S)-2-aminopent-3-en-1-ol;hydrochloride
PubChem CID165429169
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC Name(E,2S)-2-aminopent-3-en-1-ol;hydrochloride
SMILESC/C=C/[C@H](N)CO.Cl
InChIInChI=1S/C5H11NO.ClH/c1-2-3-5(6)4-7;/h2-3,5,7H,4,6H2,1H3;1H/b3-2+;/t5-;/m0./s1
InChIKeyCRFAWQZYIFSIMG-XWEJTXOPSA-N
XLogP0.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.61
LogP ≤ 50.30
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

(E,2S)-2-aminopent-3-en-1-ol
CID 55283755
pent-3-ene-1,2-diol;hydrochloride
CID 141276135
(Z)-2-amino-4-(methylamino)but-3-en-1-ol
CID 89418510
(Z,4R)-hept-2-en-4-amine
CID 89073928
(Z,2S)-2-methylpent-3-en-1-ol
CID 101124729
(E)-2-amino-5-cyclopropyl-6-methylhept-3-en-1-ol
CID 21282977
2-amino-3-hydroxypropanethial
CID 54090102
(E,2R)-2-aminohex-4-en-1-ol
CID 11344006
tert-butyl (3R)-3-aminohex-4-enoate
CID 2733827
acetaldehyde;2-(hydroxymethyl)propane-1,3-diol;methanamine
CID 142904970
(E)-pent-3-en-2-amine
CID 13149669
2,3,4-trimethylhept-5-en-1-ol
CID 123346743

Frequently Asked Questions

What is the IUPAC name of (E,2S)-2-aminopent-3-en-1-ol;hydrochloride?
The IUPAC name of (E,2S)-2-aminopent-3-en-1-ol;hydrochloride (CID 165429169) is (E,2S)-2-aminopent-3-en-1-ol;hydrochloride.
What is the SMILES notation for (E,2S)-2-aminopent-3-en-1-ol;hydrochloride?
The canonical SMILES for (E,2S)-2-aminopent-3-en-1-ol;hydrochloride is C/C=C/[C@H](N)CO.Cl.
What is the InChIKey of (E,2S)-2-aminopent-3-en-1-ol;hydrochloride?
The InChIKey is CRFAWQZYIFSIMG-XWEJTXOPSA-N. The full InChI is InChI=1S/C5H11NO.ClH/c1-2-3-5(6)4-7;/h2-3,5,7H,4,6H2,1H3;1H/b3-2+;/t5-;/m0./s1.
What are the key properties of (E,2S)-2-aminopent-3-en-1-ol;hydrochloride?
(E,2S)-2-aminopent-3-en-1-ol;hydrochloride has a molecular weight of 137.61 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-2-aminopent-3-en-1-ol;hydrochloride is sourced from PubChem (CID 165429169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).