(1R,4S)-2-methyl-3-propylbicyclo[2.2.1]heptane

C11H20 — CID 58729228

IUPAC(1R,4S)-2-methyl-3-propylbicyclo[2.2.1]heptane
SMILESCCCC1C(C)[C@@H]2CC[C@H]1C2
InChIInChI=1S/C11H20/c1-3-4-11-8(2)9-5-6-10(11)7-9/h8-11H,3-7H2,1-2H3/t8?,9-,10+,11?/m1/s1
InChIKeyWLTDYZNLDKNMLM-WIFZPCQCSA-N
MW152.28 g/mol
LogP3.47
Rot. Bonds2

About (1R,4S)-2-methyl-3-propylbicyclo[2.2.1]heptane

(1R,4S)-2-methyl-3-propylbicyclo[2.2.1]heptane (PubChem CID 58729228) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is (1R,4S)-2-methyl-3-propylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4S)-2-methyl-3-propylbicyclo[2.2.1]heptane
PubChem CID58729228
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name(1R,4S)-2-methyl-3-propylbicyclo[2.2.1]heptane
SMILESCCCC1C(C)[C@@H]2CC[C@H]1C2
InChIInChI=1S/C11H20/c1-3-4-11-8(2)9-5-6-10(11)7-9/h8-11H,3-7H2,1-2H3/t8?,9-,10+,11?/m1/s1
InChIKeyWLTDYZNLDKNMLM-WIFZPCQCSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R,2R,3S,4S)-2-[2-[(1S,2S,3R,4R)-3-ethyl-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[2-[(1R,2R,3S,4S)-3-methyl-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 59960440
4-butyl-5-[4-(3-methyl-2-bicyclo[2.2.1]heptanyl)butyl]tetracyclo[6.2.1.13,6.02,7]dodecane
CID 169052626
2-(iodomethyl)-3-propylbicyclo[2.2.1]heptane
CID 134454213
(1R,3R,4S)-2,3-dimethylbicyclo[2.2.1]heptane
CID 163414856
(1R,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane
CID 91107187
(1S,4R)-5-methylbicyclo[2.1.1]hexane
CID 154518789
3-methyl-2,4-dipropylbicyclo[3.1.0]hexane
CID 21354381
2-methyl-3-(2-methylpropyl)bicyclo[2.2.1]heptane
CID 59941268
2-methyl-3-(sulfanyloxymethyl)bicyclo[2.2.1]heptane
CID 137452260
9-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 172560711
1,2,3,4-tetramethyl-5-propylcyclopentane
CID 23231337
1,2,3-trimethyl-4-propylcyclobutane
CID 90876457

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-2-methyl-3-propylbicyclo[2.2.1]heptane?
The IUPAC name of (1R,4S)-2-methyl-3-propylbicyclo[2.2.1]heptane (CID 58729228) is (1R,4S)-2-methyl-3-propylbicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4S)-2-methyl-3-propylbicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4S)-2-methyl-3-propylbicyclo[2.2.1]heptane is CCCC1C(C)[C@@H]2CC[C@H]1C2.
What is the InChIKey of (1R,4S)-2-methyl-3-propylbicyclo[2.2.1]heptane?
The InChIKey is WLTDYZNLDKNMLM-WIFZPCQCSA-N. The full InChI is InChI=1S/C11H20/c1-3-4-11-8(2)9-5-6-10(11)7-9/h8-11H,3-7H2,1-2H3/t8?,9-,10+,11?/m1/s1.
What are the key properties of (1R,4S)-2-methyl-3-propylbicyclo[2.2.1]heptane?
(1R,4S)-2-methyl-3-propylbicyclo[2.2.1]heptane has a molecular weight of 152.28 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-2-methyl-3-propylbicyclo[2.2.1]heptane is sourced from PubChem (CID 58729228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).