5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane]

C14H20N2 — CID 115099503

IUPAC5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane]
SMILESCN1CC2(CCCC2)CNc2ccccc21
InChIInChI=1S/C14H20N2/c1-16-11-14(8-4-5-9-14)10-15-12-6-2-3-7-13(12)16/h2-3,6-7,15H,4-5,8-11H2,1H3
InChIKeyNNFOQLKNURZOJA-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.11
Rot. Bonds

About 5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane]

5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane] (PubChem CID 115099503) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane].

Molecular Properties

Compound Name5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane]
PubChem CID115099503
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane]
SMILESCN1CC2(CCCC2)CNc2ccccc21
InChIInChI=1S/C14H20N2/c1-16-11-14(8-4-5-9-14)10-15-12-6-2-3-7-13(12)16/h2-3,6-7,15H,4-5,8-11H2,1H3
InChIKeyNNFOQLKNURZOJA-UHFFFAOYSA-N
XLogP3.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-dimethylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane]
CID 115099504
7-bromo-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclobutane]
CID 115099440
1-methylspiro[4,5-dihydro-2H-1,5-benzodiazepine-3,1'-cyclohexane]-6-ol
CID 115099795
7-bromo-1-methylspiro[4,5-dihydro-2H-1,5-benzodiazepine-3,1'-cyclopropane]
CID 115098978
5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclobutane]-7-carboxylic acid
CID 115100009
6-methoxy-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclobutane]
CID 115099270
2,2,4-trimethyl-1,3-dihydroquinoxaline;hydrochloride
CID 134691155
6-fluoro-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane]
CID 115099075
1-methyl-3,4,5,6-tetrahydro-2λ6,1,6-benzothiadiazocine 2,2-dioxide
CID 117015554
3,3-dimethyl-5-prop-2-enyl-2,4-dihydro-1H-1,5-benzodiazepine
CID 117015919
spiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopentane]-6-ol
CID 115099509
6-methoxyspiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclohexane]
CID 113393267

Frequently Asked Questions

What is the IUPAC name of 5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane]?
The IUPAC name of 5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane] (CID 115099503) is 5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane].
What is the SMILES notation for 5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane]?
The canonical SMILES for 5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane] is CN1CC2(CCCC2)CNc2ccccc21.
What is the InChIKey of 5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane]?
The InChIKey is NNFOQLKNURZOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-16-11-14(8-4-5-9-14)10-15-12-6-2-3-7-13(12)16/h2-3,6-7,15H,4-5,8-11H2,1H3.
What are the key properties of 5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane]?
5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane] has a molecular weight of 216.33 g/mol, XLogP of 3.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane] is sourced from PubChem (CID 115099503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).