(3R)-5-imino-3-methylpent-1-en-2-ol

C6H11NO — CID 152818333

IUPAC(3R)-5-imino-3-methylpent-1-en-2-ol
SMILES[H]/N=C/C[C@@H](C)C(=C)O
InChIInChI=1S/C6H11NO/c1-5(3-4-7)6(2)8/h4-5,7-8H,2-3H2,1H3/b7-4+/t5-/m1/s1
InChIKeySSZZECFBUIOCFS-XHGAIERPSA-N
MW113.16 g/mol
LogP1.73
Rot. Bonds3

About (3R)-5-imino-3-methylpent-1-en-2-ol

(3R)-5-imino-3-methylpent-1-en-2-ol (PubChem CID 152818333) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (3R)-5-imino-3-methylpent-1-en-2-ol.

Molecular Properties

Compound Name(3R)-5-imino-3-methylpent-1-en-2-ol
PubChem CID152818333
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(3R)-5-imino-3-methylpent-1-en-2-ol
SMILES[H]/N=C/C[C@@H](C)C(=C)O
InChIInChI=1S/C6H11NO/c1-5(3-4-7)6(2)8/h4-5,7-8H,2-3H2,1H3/b7-4+/t5-/m1/s1
InChIKeySSZZECFBUIOCFS-XHGAIERPSA-N
XLogP1.73
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-imino-2-methylbutanamide
CID 174442854
(2S)-N-(2-fluoroethyl)-4-imino-2-methylbutanamide
CID 174601107
[(2S)-4-iminobutan-2-yl]-methylcarbamic acid
CID 175269858
4-imino-2-methylbutanal
CID 148810573
(3R)-3-methylpent-1-en-2-ol
CID 89203555
3-ethylphosphanylbutan-1-imine
CID 123356939
3,6-dimethylheptan-1-imine
CID 175257042
3-iminopropane-1,1-diamine
CID 123272207
carboxy 2-ethenyl-5-imino-2,3-dimethylpentanoate;hydrochloride
CID 174475976
4-methyl-2,3-dimethylidenehexan-1-imine
CID 170635680
(Z)-N-(4-iminobutan-2-yl)-2-methylbut-1-en-1-amine
CID 170013258
2-ethyl-4-iminobutanal
CID 173121317

Frequently Asked Questions

What is the IUPAC name of (3R)-5-imino-3-methylpent-1-en-2-ol?
The IUPAC name of (3R)-5-imino-3-methylpent-1-en-2-ol (CID 152818333) is (3R)-5-imino-3-methylpent-1-en-2-ol.
What is the SMILES notation for (3R)-5-imino-3-methylpent-1-en-2-ol?
The canonical SMILES for (3R)-5-imino-3-methylpent-1-en-2-ol is [H]/N=C/C[C@@H](C)C(=C)O.
What is the InChIKey of (3R)-5-imino-3-methylpent-1-en-2-ol?
The InChIKey is SSZZECFBUIOCFS-XHGAIERPSA-N. The full InChI is InChI=1S/C6H11NO/c1-5(3-4-7)6(2)8/h4-5,7-8H,2-3H2,1H3/b7-4+/t5-/m1/s1.
What are the key properties of (3R)-5-imino-3-methylpent-1-en-2-ol?
(3R)-5-imino-3-methylpent-1-en-2-ol has a molecular weight of 113.16 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-imino-3-methylpent-1-en-2-ol is sourced from PubChem (CID 152818333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).