1-(prop-2-enylamino)pent-4-en-2-ol

C8H15NO — CID 52937224

IUPAC1-(prop-2-enylamino)pent-4-en-2-ol
SMILESC=CCNCC(O)CC=C
InChIInChI=1S/C8H15NO/c1-3-5-8(10)7-9-6-4-2/h3-4,8-10H,1-2,5-7H2
InChIKeyXSDJHAINBHHKTF-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.70
Rot. Bonds6

About 1-(prop-2-enylamino)pent-4-en-2-ol

1-(prop-2-enylamino)pent-4-en-2-ol (PubChem CID 52937224) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-(prop-2-enylamino)pent-4-en-2-ol.

Molecular Properties

Compound Name1-(prop-2-enylamino)pent-4-en-2-ol
PubChem CID52937224
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-(prop-2-enylamino)pent-4-en-2-ol
SMILESC=CCNCC(O)CC=C
InChIInChI=1S/C8H15NO/c1-3-5-8(10)7-9-6-4-2/h3-4,8-10H,1-2,5-7H2
InChIKeyXSDJHAINBHHKTF-UHFFFAOYSA-N
XLogP0.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-4-(prop-2-enylamino)hept-6-en-3-ol
CID 134835169
(2R)-1-(prop-2-enylamino)but-3-en-2-ol
CID 129374986
(3S,4S)-4-(prop-2-enylamino)hept-6-en-3-ol
CID 134835287
(2R,3S)-1-(2-hydroxyethylamino)pent-4-ene-2,3-diol
CID 135019198
1,1,1-Trifluoro-3-(pent-4-enylamino)propan-2-ol
CID 105644945
1,1-Difluoro-3-(pent-4-enylamino)propan-2-ol
CID 105645543
(E,2S)-5-fluoro-1-(methylamino)pent-4-en-2-ol
CID 141800812
2-(Butylamino)but-3-en-1-ol
CID 21713283
1-(Prop-2-enylamino)but-3-en-2-ol
CID 55287177
1-(Prop-2-enylamino)butan-2-ol
CID 60885197
2-(Pent-4-enylamino)ethanol
CID 64313727
1-(But-3-enylamino)propan-2-ol
CID 64314181

Frequently Asked Questions

What is the IUPAC name of 1-(prop-2-enylamino)pent-4-en-2-ol?
The IUPAC name of 1-(prop-2-enylamino)pent-4-en-2-ol (CID 52937224) is 1-(prop-2-enylamino)pent-4-en-2-ol.
What is the SMILES notation for 1-(prop-2-enylamino)pent-4-en-2-ol?
The canonical SMILES for 1-(prop-2-enylamino)pent-4-en-2-ol is C=CCNCC(O)CC=C.
What is the InChIKey of 1-(prop-2-enylamino)pent-4-en-2-ol?
The InChIKey is XSDJHAINBHHKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-5-8(10)7-9-6-4-2/h3-4,8-10H,1-2,5-7H2.
What are the key properties of 1-(prop-2-enylamino)pent-4-en-2-ol?
1-(prop-2-enylamino)pent-4-en-2-ol has a molecular weight of 141.21 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-2-enylamino)pent-4-en-2-ol is sourced from PubChem (CID 52937224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).