[[(1R)-2-ethenyl-1-methylcyclopropyl]amino]methanol

C7H13NO — CID 163587559

IUPAC[[(1R)-2-ethenyl-1-methylcyclopropyl]amino]methanol
SMILESC=CC1C[C@@]1(C)NCO
InChIInChI=1S/C7H13NO/c1-3-6-4-7(6,2)8-5-9/h3,6,8-9H,1,4-5H2,2H3/t6?,7-/m1/s1
InChIKeyGMTLUFHYIGAJFP-COBSHVIPSA-N
MW127.19 g/mol
LogP0.49
Rot. Bonds3

About [[(1R)-2-ethenyl-1-methylcyclopropyl]amino]methanol

[[(1R)-2-ethenyl-1-methylcyclopropyl]amino]methanol (PubChem CID 163587559) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is [[(1R)-2-ethenyl-1-methylcyclopropyl]amino]methanol.

Molecular Properties

Compound Name[[(1R)-2-ethenyl-1-methylcyclopropyl]amino]methanol
PubChem CID163587559
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name[[(1R)-2-ethenyl-1-methylcyclopropyl]amino]methanol
SMILESC=CC1C[C@@]1(C)NCO
InChIInChI=1S/C7H13NO/c1-3-6-4-7(6,2)8-5-9/h3,6,8-9H,1,4-5H2,2H3/t6?,7-/m1/s1
InChIKeyGMTLUFHYIGAJFP-COBSHVIPSA-N
XLogP0.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[(1R)-2-ethenyl-1-methylcyclopropyl]amino]methanol?
The IUPAC name of [[(1R)-2-ethenyl-1-methylcyclopropyl]amino]methanol (CID 163587559) is [[(1R)-2-ethenyl-1-methylcyclopropyl]amino]methanol.
What is the SMILES notation for [[(1R)-2-ethenyl-1-methylcyclopropyl]amino]methanol?
The canonical SMILES for [[(1R)-2-ethenyl-1-methylcyclopropyl]amino]methanol is C=CC1C[C@@]1(C)NCO.
What is the InChIKey of [[(1R)-2-ethenyl-1-methylcyclopropyl]amino]methanol?
The InChIKey is GMTLUFHYIGAJFP-COBSHVIPSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-6-4-7(6,2)8-5-9/h3,6,8-9H,1,4-5H2,2H3/t6?,7-/m1/s1.
What are the key properties of [[(1R)-2-ethenyl-1-methylcyclopropyl]amino]methanol?
[[(1R)-2-ethenyl-1-methylcyclopropyl]amino]methanol has a molecular weight of 127.19 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(1R)-2-ethenyl-1-methylcyclopropyl]amino]methanol is sourced from PubChem (CID 163587559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).