(2R)-2-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydro-2H-pyrrole

C12H17N — CID 143222165

IUPAC(2R)-2-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydro-2H-pyrrole
SMILESCC1=CC=C(C2C=N[C@H](C)C2)CC1
InChIInChI=1S/C12H17N/c1-9-3-5-11(6-4-9)12-7-10(2)13-8-12/h3,5,8,10,12H,4,6-7H2,1-2H3/t10-,12?/m1/s1
InChIKeyAHZUWPYFNUOJFI-RWANSRKNSA-N
MW175.27 g/mol
LogP3.13
Rot. Bonds1

About (2R)-2-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydro-2H-pyrrole

(2R)-2-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydro-2H-pyrrole (PubChem CID 143222165) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is (2R)-2-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name(2R)-2-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydro-2H-pyrrole
PubChem CID143222165
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name(2R)-2-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydro-2H-pyrrole
SMILESCC1=CC=C(C2C=N[C@H](C)C2)CC1
InChIInChI=1S/C12H17N/c1-9-3-5-11(6-4-9)12-7-10(2)13-8-12/h3,5,8,10,12H,4,6-7H2,1-2H3/t10-,12?/m1/s1
InChIKeyAHZUWPYFNUOJFI-RWANSRKNSA-N
XLogP3.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 6445873
CID 6445873
4-[(2-fluoro-5-prop-2-enylcyclohexa-2,4-dien-1-yl)methyl]-3-methyl-2-[(Z)-2-methylpent-1-enyl]-2,3-dihydropyridine
CID 134299385
(1S,4S,5R)-4,7-ditert-butyl-2-azabicyclo[3.2.0]hepta-2,6-diene
CID 12014503
(3S)-N-cyclohexyl-3,7-dimethyloct-6-en-1-imine
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5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 102519273
(2R)-5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 155937170
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CID 162980508
2-Butyl-3,5-dipropyl-2,3-dihydropyridine
CID 85526511
N-cyclohexyl-1-(4,6-dimethylcyclohex-3-en-1-yl)methanimine
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2-Cyclohexyl-11-pentyl-1-azacyclododeca-4,8,12-triene
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of (2R)-2-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydro-2H-pyrrole (CID 143222165) is (2R)-2-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for (2R)-2-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for (2R)-2-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydro-2H-pyrrole is CC1=CC=C(C2C=N[C@H](C)C2)CC1.
What is the InChIKey of (2R)-2-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydro-2H-pyrrole?
The InChIKey is AHZUWPYFNUOJFI-RWANSRKNSA-N. The full InChI is InChI=1S/C12H17N/c1-9-3-5-11(6-4-9)12-7-10(2)13-8-12/h3,5,8,10,12H,4,6-7H2,1-2H3/t10-,12?/m1/s1.
What are the key properties of (2R)-2-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydro-2H-pyrrole?
(2R)-2-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydro-2H-pyrrole has a molecular weight of 175.27 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 143222165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).