[(1R)-2-oxo-1-prop-2-enylcyclopentyl]methylcarbamic acid

C10H15NO3 — CID 155145151

IUPAC[(1R)-2-oxo-1-prop-2-enylcyclopentyl]methylcarbamic acid
SMILESC=CC[C@@]1(CNC(=O)O)CCCC1=O
InChIInChI=1S/C10H15NO3/c1-2-5-10(7-11-9(13)14)6-3-4-8(10)12/h2,11H,1,3-7H2,(H,13,14)/t10-/m0/s1
InChIKeyUNIJTVBVQJIVEE-JTQLQIEISA-N
MW197.23 g/mol
LogP1.57
Rot. Bonds4

About [(1R)-2-oxo-1-prop-2-enylcyclopentyl]methylcarbamic acid

[(1R)-2-oxo-1-prop-2-enylcyclopentyl]methylcarbamic acid (PubChem CID 155145151) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is [(1R)-2-oxo-1-prop-2-enylcyclopentyl]methylcarbamic acid.

Molecular Properties

Compound Name[(1R)-2-oxo-1-prop-2-enylcyclopentyl]methylcarbamic acid
PubChem CID155145151
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name[(1R)-2-oxo-1-prop-2-enylcyclopentyl]methylcarbamic acid
SMILESC=CC[C@@]1(CNC(=O)O)CCCC1=O
InChIInChI=1S/C10H15NO3/c1-2-5-10(7-11-9(13)14)6-3-4-8(10)12/h2,11H,1,3-7H2,(H,13,14)/t10-/m0/s1
InChIKeyUNIJTVBVQJIVEE-JTQLQIEISA-N
XLogP1.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R)-2-oxo-1-prop-2-enylcyclopentyl]methylcarbamic acid?
The IUPAC name of [(1R)-2-oxo-1-prop-2-enylcyclopentyl]methylcarbamic acid (CID 155145151) is [(1R)-2-oxo-1-prop-2-enylcyclopentyl]methylcarbamic acid.
What is the SMILES notation for [(1R)-2-oxo-1-prop-2-enylcyclopentyl]methylcarbamic acid?
The canonical SMILES for [(1R)-2-oxo-1-prop-2-enylcyclopentyl]methylcarbamic acid is C=CC[C@@]1(CNC(=O)O)CCCC1=O.
What is the InChIKey of [(1R)-2-oxo-1-prop-2-enylcyclopentyl]methylcarbamic acid?
The InChIKey is UNIJTVBVQJIVEE-JTQLQIEISA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-5-10(7-11-9(13)14)6-3-4-8(10)12/h2,11H,1,3-7H2,(H,13,14)/t10-/m0/s1.
What are the key properties of [(1R)-2-oxo-1-prop-2-enylcyclopentyl]methylcarbamic acid?
[(1R)-2-oxo-1-prop-2-enylcyclopentyl]methylcarbamic acid has a molecular weight of 197.23 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-oxo-1-prop-2-enylcyclopentyl]methylcarbamic acid is sourced from PubChem (CID 155145151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).