N-[(3aR,4S,8aR)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrrol-4-yl]-N-methylformamide

C11H20N2O — CID 15015172

IUPACN-[(3aR,4S,8aR)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrrol-4-yl]-N-methylformamide
SMILESCN(C=O)[C@H]1CCCC[C@H]2CNC[C@@H]21
InChIInChI=1S/C11H20N2O/c1-13(8-14)11-5-3-2-4-9-6-12-7-10(9)11/h8-12H,2-7H2,1H3/t9-,10-,11-/m0/s1
InChIKeyMHPOSPZUSPHNGZ-DCAQKATOSA-N
MW196.29 g/mol
LogP0.85
Rot. Bonds2

About N-[(3aR,4S,8aR)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrrol-4-yl]-N-methylformamide

N-[(3aR,4S,8aR)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrrol-4-yl]-N-methylformamide (PubChem CID 15015172) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-[(3aR,4S,8aR)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrrol-4-yl]-N-methylformamide.

Molecular Properties

Compound NameN-[(3aR,4S,8aR)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrrol-4-yl]-N-methylformamide
PubChem CID15015172
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-[(3aR,4S,8aR)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrrol-4-yl]-N-methylformamide
SMILESCN(C=O)[C@H]1CCCC[C@H]2CNC[C@@H]21
InChIInChI=1S/C11H20N2O/c1-13(8-14)11-5-3-2-4-9-6-12-7-10(9)11/h8-12H,2-7H2,1H3/t9-,10-,11-/m0/s1
InChIKeyMHPOSPZUSPHNGZ-DCAQKATOSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3aR,4S,8aR)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrrol-4-yl]-N-methylformamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3aR,4S,8aR)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrrol-4-yl]-N-methylformamide?
The IUPAC name of N-[(3aR,4S,8aR)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrrol-4-yl]-N-methylformamide (CID 15015172) is N-[(3aR,4S,8aR)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrrol-4-yl]-N-methylformamide.
What is the SMILES notation for N-[(3aR,4S,8aR)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrrol-4-yl]-N-methylformamide?
The canonical SMILES for N-[(3aR,4S,8aR)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrrol-4-yl]-N-methylformamide is CN(C=O)[C@H]1CCCC[C@H]2CNC[C@@H]21.
What is the InChIKey of N-[(3aR,4S,8aR)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrrol-4-yl]-N-methylformamide?
The InChIKey is MHPOSPZUSPHNGZ-DCAQKATOSA-N. The full InChI is InChI=1S/C11H20N2O/c1-13(8-14)11-5-3-2-4-9-6-12-7-10(9)11/h8-12H,2-7H2,1H3/t9-,10-,11-/m0/s1.
What are the key properties of N-[(3aR,4S,8aR)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrrol-4-yl]-N-methylformamide?
N-[(3aR,4S,8aR)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrrol-4-yl]-N-methylformamide has a molecular weight of 196.29 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aR,4S,8aR)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrrol-4-yl]-N-methylformamide is sourced from PubChem (CID 15015172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).