(2S)-2-propylbicyclo[2.2.1]heptane

C10H18 — CID 143719109

IUPAC(2S)-2-propylbicyclo[2.2.1]heptane
SMILESCCC[C@H]1CC2CCC1C2
InChIInChI=1S/C10H18/c1-2-3-9-6-8-4-5-10(9)7-8/h8-10H,2-7H2,1H3/t8?,9-,10?/m0/s1
InChIKeyIMTYSALDLNNZKO-KYHHOPLUSA-N
MW138.25 g/mol
LogP3.22
Rot. Bonds2

About (2S)-2-propylbicyclo[2.2.1]heptane

(2S)-2-propylbicyclo[2.2.1]heptane (PubChem CID 143719109) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (2S)-2-propylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(2S)-2-propylbicyclo[2.2.1]heptane
PubChem CID143719109
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(2S)-2-propylbicyclo[2.2.1]heptane
SMILESCCC[C@H]1CC2CCC1C2
InChIInChI=1S/C10H18/c1-2-3-9-6-8-4-5-10(9)7-8/h8-10H,2-7H2,1H3/t8?,9-,10?/m0/s1
InChIKeyIMTYSALDLNNZKO-KYHHOPLUSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,2S,4S)-2-butylbicyclo[2.2.1]heptane
CID 177495846
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
2-ethylbicyclo[2.2.1]heptane;methane
CID 169189353
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 14043124
2-(2-bicyclo[2.2.1]heptanyl)ethyl-methoxysilane
CID 173472189
(1R,2S,4R)-2-(iodomethyl)bicyclo[2.2.1]heptane
CID 98085317
2-(3-chloro-4-methylpentyl)bicyclo[2.2.1]heptane
CID 79563064
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]propan-2-amine
CID 43163798
ethyl 3-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]propanoate
CID 98287617
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405492
1-(2-bicyclo[2.2.1]heptanyl)pentan-2-amine
CID 79557968

Frequently Asked Questions

What is the IUPAC name of (2S)-2-propylbicyclo[2.2.1]heptane?
The IUPAC name of (2S)-2-propylbicyclo[2.2.1]heptane (CID 143719109) is (2S)-2-propylbicyclo[2.2.1]heptane.
What is the SMILES notation for (2S)-2-propylbicyclo[2.2.1]heptane?
The canonical SMILES for (2S)-2-propylbicyclo[2.2.1]heptane is CCC[C@H]1CC2CCC1C2.
What is the InChIKey of (2S)-2-propylbicyclo[2.2.1]heptane?
The InChIKey is IMTYSALDLNNZKO-KYHHOPLUSA-N. The full InChI is InChI=1S/C10H18/c1-2-3-9-6-8-4-5-10(9)7-8/h8-10H,2-7H2,1H3/t8?,9-,10?/m0/s1.
What are the key properties of (2S)-2-propylbicyclo[2.2.1]heptane?
(2S)-2-propylbicyclo[2.2.1]heptane has a molecular weight of 138.25 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-propylbicyclo[2.2.1]heptane is sourced from PubChem (CID 143719109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).