benzene;2,3-dihydro-1H-indene;8-methyl-1-oxa-8-azaspiro[4.5]decane

C24H33NO — CID 142283435

IUPACbenzene;2,3-dihydro-1H-indene;8-methyl-1-oxa-8-azaspiro[4.5]decane
SMILESCN1CCC2(CCCO2)CC1.c1ccc2c(c1)CCC2.c1ccccc1
InChIInChI=1S/C9H17NO.C9H10.C6H6/c1-10-6-4-9(5-7-10)3-2-8-11-9;1-2-5-9-7-3-6-8(9)4-1;1-2-4-6-5-3-1/h2-8H2,1H3;1-2,4-5H,3,6-7H2;1-6H
InChIKeyPFVPXJNJIHONBD-UHFFFAOYSA-N
MW351.53 g/mol
LogP5.12
Rot. Bonds

About benzene;2,3-dihydro-1H-indene;8-methyl-1-oxa-8-azaspiro[4.5]decane

benzene;2,3-dihydro-1H-indene;8-methyl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 142283435) has the molecular formula C24H33NO and a molecular weight of 351.53 g/mol. Its IUPAC name is benzene;2,3-dihydro-1H-indene;8-methyl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Namebenzene;2,3-dihydro-1H-indene;8-methyl-1-oxa-8-azaspiro[4.5]decane
PubChem CID142283435
Molecular FormulaC24H33NO
Molecular Weight351.53 g/mol
Exact Mass351.26
IUPAC Namebenzene;2,3-dihydro-1H-indene;8-methyl-1-oxa-8-azaspiro[4.5]decane
SMILESCN1CCC2(CCCO2)CC1.c1ccc2c(c1)CCC2.c1ccccc1
InChIInChI=1S/C9H17NO.C9H10.C6H6/c1-10-6-4-9(5-7-10)3-2-8-11-9;1-2-5-9-7-3-6-8(9)4-1;1-2-4-6-5-3-1/h2-8H2,1H3;1-2,4-5H,3,6-7H2;1-6H
InChIKeyPFVPXJNJIHONBD-UHFFFAOYSA-N
XLogP5.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.53
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-(2-methylphenyl)-1-oxa-8-azaspiro[4.5]decane
CID 142088748
spiro[2,5-dihydro-1H-3-benzoxepine-4,1'-cyclohexane]
CID 86182652
2-methyl-3,4,5,6,7,8-hexahydro-1H-2-benzazecine
CID 14903383
(5R)-9-[(3-phenylphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95719727
(5S)-9-methyl-1-oxa-9-azaspiro[4.5]decane
CID 167468674
9-[(4-methylnaphthalen-1-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 56873072
8-propyl-1-oxa-8-azaspiro[4.5]decane
CID 149367248
ethane;1-(1-methyl-4-phenylpiperidin-4-yl)ethanone
CID 142234694
(5S)-9-(3-pyrrol-1-ylpropyl)-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95720611
ethane;6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 143018675
3,9-dimethyl-2-phenyl-1-oxa-9-azaspiro[5.5]undecane
CID 142826212
2,3-dihydro-1H-indene;tetrahydrochloride
CID 175293615

Frequently Asked Questions

What is the IUPAC name of benzene;2,3-dihydro-1H-indene;8-methyl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of benzene;2,3-dihydro-1H-indene;8-methyl-1-oxa-8-azaspiro[4.5]decane (CID 142283435) is benzene;2,3-dihydro-1H-indene;8-methyl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for benzene;2,3-dihydro-1H-indene;8-methyl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for benzene;2,3-dihydro-1H-indene;8-methyl-1-oxa-8-azaspiro[4.5]decane is CN1CCC2(CCCO2)CC1.c1ccc2c(c1)CCC2.c1ccccc1.
What is the InChIKey of benzene;2,3-dihydro-1H-indene;8-methyl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is PFVPXJNJIHONBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C9H10.C6H6/c1-10-6-4-9(5-7-10)3-2-8-11-9;1-2-5-9-7-3-6-8(9)4-1;1-2-4-6-5-3-1/h2-8H2,1H3;1-2,4-5H,3,6-7H2;1-6H.
What are the key properties of benzene;2,3-dihydro-1H-indene;8-methyl-1-oxa-8-azaspiro[4.5]decane?
benzene;2,3-dihydro-1H-indene;8-methyl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 351.53 g/mol, XLogP of 5.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2,3-dihydro-1H-indene;8-methyl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 142283435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).