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

C19H28N2O — CID 134787864

IUPAC1-(cyclohexylmethyl)spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]
SMILESc1ccc2c(c1)COC1(CCNC1)CN2CC1CCCCC1
InChIInChI=1S/C19H28N2O/c1-2-6-16(7-3-1)12-21-15-19(10-11-20-14-19)22-13-17-8-4-5-9-18(17)21/h4-5,8-9,16,20H,1-3,6-7,10-15H2
InChIKeyUFCVUVOPTRCTSG-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.34
Rot. Bonds2

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

1-(cyclohexylmethyl)spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine] (PubChem CID 134787864) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine].

Molecular Properties

Compound Name1-(cyclohexylmethyl)spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]
PubChem CID134787864
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name1-(cyclohexylmethyl)spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]
SMILESc1ccc2c(c1)COC1(CCNC1)CN2CC1CCCCC1
InChIInChI=1S/C19H28N2O/c1-2-6-16(7-3-1)12-21-15-19(10-11-20-14-19)22-13-17-8-4-5-9-18(17)21/h4-5,8-9,16,20H,1-3,6-7,10-15H2
InChIKeyUFCVUVOPTRCTSG-UHFFFAOYSA-N
XLogP3.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(cyclohexylmethyl)spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine] with MolForge

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Related Compounds

2-[[2-(Methoxymethyl)anilino]methyl]aniline
CID 66385053
US11401270, Example 6
CID 142566852
US11401270, Example 7
CID 142566927
Carbanilic acid, o-(butoxymethyl)-, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride
CID 54485
Carbanilic acid, o-(methoxymethyl)-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride
CID 54519
Carbanilic acid, o-(butoxymethyl)-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride
CID 54523
Carbanilic acid, o-((pentyloxy)methyl)-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride
CID 54525
Carbanilic acid, o-((hexyloxy)methyl)-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride
CID 54527
1,2,3,5-Tetrahydro-4,1-benzoxazepine
CID 18378605
Sdccgsbi-0662779.P001
CID 118740488
Phenyl(spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]-1-yl)methanone
CID 118740490
1-(Cyclopentylmethyl)spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]
CID 134789829

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]?
The IUPAC name of 1-(cyclohexylmethyl)spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine] (CID 134787864) is 1-(cyclohexylmethyl)spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine].
What is the SMILES notation for 1-(cyclohexylmethyl)spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]?
The canonical SMILES for 1-(cyclohexylmethyl)spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine] is c1ccc2c(c1)COC1(CCNC1)CN2CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]?
The InChIKey is UFCVUVOPTRCTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-2-6-16(7-3-1)12-21-15-19(10-11-20-14-19)22-13-17-8-4-5-9-18(17)21/h4-5,8-9,16,20H,1-3,6-7,10-15H2.
What are the key properties of 1-(cyclohexylmethyl)spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]?
1-(cyclohexylmethyl)spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine] has a molecular weight of 300.45 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine] is sourced from PubChem (CID 134787864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).