1-(cyclopentylmethyl)spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]

C18H26N2O — CID 134789829

IUPAC1-(cyclopentylmethyl)spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]
SMILESc1ccc2c(c1)COC1(CCNC1)CN2CC1CCCC1
InChIInChI=1S/C18H26N2O/c1-2-6-15(5-1)11-20-14-18(9-10-19-13-18)21-12-16-7-3-4-8-17(16)20/h3-4,7-8,15,19H,1-2,5-6,9-14H2
InChIKeyREWATGJKQZNQAM-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.95
Rot. Bonds2

About 1-(cyclopentylmethyl)spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]

1-(cyclopentylmethyl)spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine] (PubChem CID 134789829) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine].

Molecular Properties

Compound Name1-(cyclopentylmethyl)spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]
PubChem CID134789829
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-(cyclopentylmethyl)spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]
SMILESc1ccc2c(c1)COC1(CCNC1)CN2CC1CCCC1
InChIInChI=1S/C18H26N2O/c1-2-6-15(5-1)11-20-14-18(9-10-19-13-18)21-12-16-7-3-4-8-17(16)20/h3-4,7-8,15,19H,1-2,5-6,9-14H2
InChIKeyREWATGJKQZNQAM-UHFFFAOYSA-N
XLogP2.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]?
The IUPAC name of 1-(cyclopentylmethyl)spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine] (CID 134789829) is 1-(cyclopentylmethyl)spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine].
What is the SMILES notation for 1-(cyclopentylmethyl)spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]?
The canonical SMILES for 1-(cyclopentylmethyl)spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine] is c1ccc2c(c1)COC1(CCNC1)CN2CC1CCCC1.
What is the InChIKey of 1-(cyclopentylmethyl)spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]?
The InChIKey is REWATGJKQZNQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-6-15(5-1)11-20-14-18(9-10-19-13-18)21-12-16-7-3-4-8-17(16)20/h3-4,7-8,15,19H,1-2,5-6,9-14H2.
What are the key properties of 1-(cyclopentylmethyl)spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]?
1-(cyclopentylmethyl)spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine] has a molecular weight of 286.42 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine] is sourced from PubChem (CID 134789829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).