(3R)-3-methylcyclohexene;pyrrolidine

C11H21N — CID 143477077

IUPAC(3R)-3-methylcyclohexene;pyrrolidine
SMILESC1CCNC1.C[C@H]1C=CCCC1
InChIInChI=1S/C7H12.C4H9N/c1-7-5-3-2-4-6-7;1-2-4-5-3-1/h3,5,7H,2,4,6H2,1H3;5H,1-4H2/t7-;/m0./s1
InChIKeyDHWWGEJDBZOBPE-FJXQXJEOSA-N
MW167.30 g/mol
LogP2.73
Rot. Bonds

About (3R)-3-methylcyclohexene;pyrrolidine

(3R)-3-methylcyclohexene;pyrrolidine (PubChem CID 143477077) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (3R)-3-methylcyclohexene;pyrrolidine.

Molecular Properties

Compound Name(3R)-3-methylcyclohexene;pyrrolidine
PubChem CID143477077
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(3R)-3-methylcyclohexene;pyrrolidine
SMILESC1CCNC1.C[C@H]1C=CCCC1
InChIInChI=1S/C7H12.C4H9N/c1-7-5-3-2-4-6-7;1-2-4-5-3-1/h3,5,7H,2,4,6H2,1H3;5H,1-4H2/t7-;/m0./s1
InChIKeyDHWWGEJDBZOBPE-FJXQXJEOSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-methylcyclohexene
CID 145337562
(1Z)-3-methylcyclopentadecene
CID 140520640
(1Z)-3-methylcyclooctene
CID 5352586
(1E)-3-methylcyclodecene
CID 5352563
3-methylcycloundecene
CID 54531806
(1Z)-3-methylcyclodecene
CID 6430931
methanol;3-methylcyclohexene;propan-2-ol
CID 142978987
(3S)-3-methylcyclopentene
CID 11018803
3-methylcyclopentadec-1-en-8-yne
CID 123715126
(9Z)-1-azacyclopentadec-9-ene
CID 10822312
ethane;(1Z,3Z)-5-methylcyclonona-1,3-diene
CID 143054449
1-azacyclotetradeca-7,10-diene
CID 70114442

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methylcyclohexene;pyrrolidine?
The IUPAC name of (3R)-3-methylcyclohexene;pyrrolidine (CID 143477077) is (3R)-3-methylcyclohexene;pyrrolidine.
What is the SMILES notation for (3R)-3-methylcyclohexene;pyrrolidine?
The canonical SMILES for (3R)-3-methylcyclohexene;pyrrolidine is C1CCNC1.C[C@H]1C=CCCC1.
What is the InChIKey of (3R)-3-methylcyclohexene;pyrrolidine?
The InChIKey is DHWWGEJDBZOBPE-FJXQXJEOSA-N. The full InChI is InChI=1S/C7H12.C4H9N/c1-7-5-3-2-4-6-7;1-2-4-5-3-1/h3,5,7H,2,4,6H2,1H3;5H,1-4H2/t7-;/m0./s1.
What are the key properties of (3R)-3-methylcyclohexene;pyrrolidine?
(3R)-3-methylcyclohexene;pyrrolidine has a molecular weight of 167.30 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methylcyclohexene;pyrrolidine is sourced from PubChem (CID 143477077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).