(1R)-4-[(2S)-2,3-dihydrofuran-2-yl]-2-methylcyclohex-2-en-1-amine

C11H17NO — CID 89153852

IUPAC(1R)-4-[(2S)-2,3-dihydrofuran-2-yl]-2-methylcyclohex-2-en-1-amine
SMILESCC1=CC([C@@H]2CC=CO2)CC[C@H]1N
InChIInChI=1S/C11H17NO/c1-8-7-9(4-5-10(8)12)11-3-2-6-13-11/h2,6-7,9-11H,3-5,12H2,1H3/t9?,10-,11+/m1/s1
InChIKeyKZCBXECIFMWZFO-ZOCYIJKUSA-N
MW179.26 g/mol
LogP1.97
Rot. Bonds1

About (1R)-4-[(2S)-2,3-dihydrofuran-2-yl]-2-methylcyclohex-2-en-1-amine

(1R)-4-[(2S)-2,3-dihydrofuran-2-yl]-2-methylcyclohex-2-en-1-amine (PubChem CID 89153852) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (1R)-4-[(2S)-2,3-dihydrofuran-2-yl]-2-methylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name(1R)-4-[(2S)-2,3-dihydrofuran-2-yl]-2-methylcyclohex-2-en-1-amine
PubChem CID89153852
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(1R)-4-[(2S)-2,3-dihydrofuran-2-yl]-2-methylcyclohex-2-en-1-amine
SMILESCC1=CC([C@@H]2CC=CO2)CC[C@H]1N
InChIInChI=1S/C11H17NO/c1-8-7-9(4-5-10(8)12)11-3-2-6-13-11/h2,6-7,9-11H,3-5,12H2,1H3/t9?,10-,11+/m1/s1
InChIKeyKZCBXECIFMWZFO-ZOCYIJKUSA-N
XLogP1.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
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)-4-[(2S)-2,3-dihydrofuran-2-yl]-2-methylcyclohex-2-en-1-amine?
The IUPAC name of (1R)-4-[(2S)-2,3-dihydrofuran-2-yl]-2-methylcyclohex-2-en-1-amine (CID 89153852) is (1R)-4-[(2S)-2,3-dihydrofuran-2-yl]-2-methylcyclohex-2-en-1-amine.
What is the SMILES notation for (1R)-4-[(2S)-2,3-dihydrofuran-2-yl]-2-methylcyclohex-2-en-1-amine?
The canonical SMILES for (1R)-4-[(2S)-2,3-dihydrofuran-2-yl]-2-methylcyclohex-2-en-1-amine is CC1=CC([C@@H]2CC=CO2)CC[C@H]1N.
What is the InChIKey of (1R)-4-[(2S)-2,3-dihydrofuran-2-yl]-2-methylcyclohex-2-en-1-amine?
The InChIKey is KZCBXECIFMWZFO-ZOCYIJKUSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-7-9(4-5-10(8)12)11-3-2-6-13-11/h2,6-7,9-11H,3-5,12H2,1H3/t9?,10-,11+/m1/s1.
What are the key properties of (1R)-4-[(2S)-2,3-dihydrofuran-2-yl]-2-methylcyclohex-2-en-1-amine?
(1R)-4-[(2S)-2,3-dihydrofuran-2-yl]-2-methylcyclohex-2-en-1-amine has a molecular weight of 179.26 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-[(2S)-2,3-dihydrofuran-2-yl]-2-methylcyclohex-2-en-1-amine is sourced from PubChem (CID 89153852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).