4-(7,8-dihydro-1H-cycloocta[b]pyrrol-3-yl)morpholine

C14H18N2O — CID 123914853

IUPAC4-(7,8-dihydro-1H-cycloocta[b]pyrrol-3-yl)morpholine
SMILESC1=CCCC=c2[nH]cc(N3CCOCC3)c2=C1
InChIInChI=1S/C14H18N2O/c1-2-4-6-13-12(5-3-1)14(11-15-13)16-7-9-17-10-8-16/h1,3,5-6,11,15H,2,4,7-10H2
InChIKeyWPKMIVKDRMIZKG-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.76
Rot. Bonds1

About 4-(7,8-dihydro-1H-cycloocta[b]pyrrol-3-yl)morpholine

4-(7,8-dihydro-1H-cycloocta[b]pyrrol-3-yl)morpholine (PubChem CID 123914853) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-(7,8-dihydro-1H-cycloocta[b]pyrrol-3-yl)morpholine.

Molecular Properties

Compound Name4-(7,8-dihydro-1H-cycloocta[b]pyrrol-3-yl)morpholine
PubChem CID123914853
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-(7,8-dihydro-1H-cycloocta[b]pyrrol-3-yl)morpholine
SMILESC1=CCCC=c2[nH]cc(N3CCOCC3)c2=C1
InChIInChI=1S/C14H18N2O/c1-2-4-6-13-12(5-3-1)14(11-15-13)16-7-9-17-10-8-16/h1,3,5-6,11,15H,2,4,7-10H2
InChIKeyWPKMIVKDRMIZKG-UHFFFAOYSA-N
XLogP0.76
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(4-chlorophenyl)-7,8-dihydrocycloocta[c]pyrazol-3-yl]morpholine
CID 123918313
4-(2H-pyran-6-yl)morpholine
CID 101171704
4-(7-methylcyclohepta-1,4,6-trien-1-yl)morpholine
CID 142904528
4-(5-nitro-1H-pyrrolo[2,3-b]pyridin-3-yl)morpholine
CID 67155951
10-(2-iodophenyl)-1,4,7-trioxa-10-azacyclododecane
CID 101167141
13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102356016
7,16-bis(1H-imidazol-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 45278194
5-morpholin-4-yl-3H-1,3-thiazole-2-thione
CID 141425201
4-(2-thiomorpholin-4-yl-1H-pyrrol-3-yl)morpholine
CID 148920660
4-(2-morpholin-4-ylphenyl)-2H-isoquinolin-1-one
CID 141310888
N-fluoro-4-morpholin-4-ylaniline
CID 141098997
6-fluoro-N-(2-morpholin-4-ylphenyl)-1H-indole-3-carboxamide
CID 113206299

Frequently Asked Questions

What is the IUPAC name of 4-(7,8-dihydro-1H-cycloocta[b]pyrrol-3-yl)morpholine?
The IUPAC name of 4-(7,8-dihydro-1H-cycloocta[b]pyrrol-3-yl)morpholine (CID 123914853) is 4-(7,8-dihydro-1H-cycloocta[b]pyrrol-3-yl)morpholine.
What is the SMILES notation for 4-(7,8-dihydro-1H-cycloocta[b]pyrrol-3-yl)morpholine?
The canonical SMILES for 4-(7,8-dihydro-1H-cycloocta[b]pyrrol-3-yl)morpholine is C1=CCCC=c2[nH]cc(N3CCOCC3)c2=C1.
What is the InChIKey of 4-(7,8-dihydro-1H-cycloocta[b]pyrrol-3-yl)morpholine?
The InChIKey is WPKMIVKDRMIZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-4-6-13-12(5-3-1)14(11-15-13)16-7-9-17-10-8-16/h1,3,5-6,11,15H,2,4,7-10H2.
What are the key properties of 4-(7,8-dihydro-1H-cycloocta[b]pyrrol-3-yl)morpholine?
4-(7,8-dihydro-1H-cycloocta[b]pyrrol-3-yl)morpholine has a molecular weight of 230.31 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,8-dihydro-1H-cycloocta[b]pyrrol-3-yl)morpholine is sourced from PubChem (CID 123914853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).