(E,2S)-3-methanimidoylpent-3-en-2-ol

C6H11NO — CID 177168614

IUPAC(E,2S)-3-methanimidoylpent-3-en-2-ol
SMILES[H]/N=C/C(=C\C)[C@H](C)O
InChIInChI=1S/C6H11NO/c1-3-6(4-7)5(2)8/h3-5,7-8H,1-2H3/b6-3+,7-4+/t5-/m0/s1
InChIKeyFIPWPQPQTSAYBH-LQCMYNHRSA-N
MW113.16 g/mol
LogP0.96
Rot. Bonds2

About (E,2S)-3-methanimidoylpent-3-en-2-ol

(E,2S)-3-methanimidoylpent-3-en-2-ol (PubChem CID 177168614) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (E,2S)-3-methanimidoylpent-3-en-2-ol.

Molecular Properties

Compound Name(E,2S)-3-methanimidoylpent-3-en-2-ol
PubChem CID177168614
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(E,2S)-3-methanimidoylpent-3-en-2-ol
SMILES[H]/N=C/C(=C\C)[C@H](C)O
InChIInChI=1S/C6H11NO/c1-3-6(4-7)5(2)8/h3-5,7-8H,1-2H3/b6-3+,7-4+/t5-/m0/s1
InChIKeyFIPWPQPQTSAYBH-LQCMYNHRSA-N
XLogP0.96
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(3Z,6Z)-9-imino-5,5,8,8-tetramethylnona-3,6-dien-2-ol
CID 88057678
(E)-2-(methyliminomethyl)pent-2-en-1-ol
CID 89029220
1-(2,3-Dihydropyridin-5-yl)propan-1-ol
CID 89150639
(4E,6Z)-4-methanimidoylocta-4,6-dien-3-ol
CID 89771739
(4E)-4-methanimidoyl-7-methylocta-4,6-dien-3-ol
CID 89771742
(E)-2-methanimidoylbut-2-en-1-ol
CID 91561124
2-Methanimidoylbut-2-en-1-ol
CID 123586613
1-(2,3-Dihydropyridin-5-yl)ethanol
CID 123819393
(2Z,4E)-4-methanimidoylhexa-2,4-dien-1-ol
CID 131998269
(E,2R)-3-[(Z)-methoxyiminomethyl]hex-3-en-2-ol
CID 132023547
(3Z,5Z)-7-imino-5,6-dimethylhepta-3,5-dien-2-ol
CID 142150429
(3E)-3-(methyliminomethyl)hexa-3,5-dien-2-ol
CID 143071584

Frequently Asked Questions

What is the IUPAC name of (E,2S)-3-methanimidoylpent-3-en-2-ol?
The IUPAC name of (E,2S)-3-methanimidoylpent-3-en-2-ol (CID 177168614) is (E,2S)-3-methanimidoylpent-3-en-2-ol.
What is the SMILES notation for (E,2S)-3-methanimidoylpent-3-en-2-ol?
The canonical SMILES for (E,2S)-3-methanimidoylpent-3-en-2-ol is [H]/N=C/C(=C\C)[C@H](C)O.
What is the InChIKey of (E,2S)-3-methanimidoylpent-3-en-2-ol?
The InChIKey is FIPWPQPQTSAYBH-LQCMYNHRSA-N. The full InChI is InChI=1S/C6H11NO/c1-3-6(4-7)5(2)8/h3-5,7-8H,1-2H3/b6-3+,7-4+/t5-/m0/s1.
What are the key properties of (E,2S)-3-methanimidoylpent-3-en-2-ol?
(E,2S)-3-methanimidoylpent-3-en-2-ol has a molecular weight of 113.16 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-3-methanimidoylpent-3-en-2-ol is sourced from PubChem (CID 177168614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).