(3aR)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-pentaleno[1,2-c]pyrrole

C10H17N — CID 170152236

IUPAC(3aR)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-pentaleno[1,2-c]pyrrole
SMILESC1CC2CC3CNC[C@@H]3C2C1
InChIInChI=1S/C10H17N/c1-2-7-4-8-5-11-6-10(8)9(7)3-1/h7-11H,1-6H2/t7?,8?,9?,10-/m0/s1
InChIKeyFYMHZSCOLNJVTH-VVIYDGDNSA-N
MW151.25 g/mol
LogP1.64
Rot. Bonds

About (3aR)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-pentaleno[1,2-c]pyrrole

(3aR)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-pentaleno[1,2-c]pyrrole (PubChem CID 170152236) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (3aR)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-pentaleno[1,2-c]pyrrole.

Molecular Properties

Compound Name(3aR)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-pentaleno[1,2-c]pyrrole
PubChem CID170152236
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(3aR)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-pentaleno[1,2-c]pyrrole
SMILESC1CC2CC3CNC[C@@H]3C2C1
InChIInChI=1S/C10H17N/c1-2-7-4-8-5-11-6-10(8)9(7)3-1/h7-11H,1-6H2/t7?,8?,9?,10-/m0/s1
InChIKeyFYMHZSCOLNJVTH-VVIYDGDNSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3aR)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-pentaleno[1,2-c]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,6S,8S)-4-azatricyclo[4.4.0.02,8]decane
CID 55288326
(1S,7R)-4-azatricyclo[5.2.1.02,6]decane
CID 55254914
tricyclo[4.4.0.02,8]decane
CID 585864
2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 21972
(7S)-tricyclo[5.2.1.02,6]decane
CID 154529079
(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride
CID 67080793
ethane;tricyclo[4.4.0.02,8]decane
CID 91556011
tetracyclo[6.3.1.02,6.010,12]dodecane
CID 146743747
(3aR,4R,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol
CID 72942391
(3aR,4S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol
CID 130759633
tetracyclo[9.7.0.03,8.012,16]octadecane
CID 140868120
CID 172701380
CID 172701380

Frequently Asked Questions

What is the IUPAC name of (3aR)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-pentaleno[1,2-c]pyrrole?
The IUPAC name of (3aR)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-pentaleno[1,2-c]pyrrole (CID 170152236) is (3aR)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-pentaleno[1,2-c]pyrrole.
What is the SMILES notation for (3aR)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-pentaleno[1,2-c]pyrrole?
The canonical SMILES for (3aR)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-pentaleno[1,2-c]pyrrole is C1CC2CC3CNC[C@@H]3C2C1.
What is the InChIKey of (3aR)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-pentaleno[1,2-c]pyrrole?
The InChIKey is FYMHZSCOLNJVTH-VVIYDGDNSA-N. The full InChI is InChI=1S/C10H17N/c1-2-7-4-8-5-11-6-10(8)9(7)3-1/h7-11H,1-6H2/t7?,8?,9?,10-/m0/s1.
What are the key properties of (3aR)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-pentaleno[1,2-c]pyrrole?
(3aR)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-pentaleno[1,2-c]pyrrole has a molecular weight of 151.25 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-pentaleno[1,2-c]pyrrole is sourced from PubChem (CID 170152236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).