(2S)-2-spiro[2,3-dihydroquinoline-4,1'-cyclobutane]-1-ylpropanamide

C15H20N2O — CID 129409114

IUPAC(2S)-2-spiro[2,3-dihydroquinoline-4,1'-cyclobutane]-1-ylpropanamide
SMILESC[C@@H](C(N)=O)N1CCC2(CCC2)c2ccccc21
InChIInChI=1S/C15H20N2O/c1-11(14(16)18)17-10-9-15(7-4-8-15)12-5-2-3-6-13(12)17/h2-3,5-6,11H,4,7-10H2,1H3,(H2,16,18)/t11-/m0/s1
InChIKeyZLPQRGFXQORDHN-NSHDSACASA-N
MW244.34 g/mol
LogP2.19
Rot. Bonds2

About (2S)-2-spiro[2,3-dihydroquinoline-4,1'-cyclobutane]-1-ylpropanamide

(2S)-2-spiro[2,3-dihydroquinoline-4,1'-cyclobutane]-1-ylpropanamide (PubChem CID 129409114) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (2S)-2-spiro[2,3-dihydroquinoline-4,1'-cyclobutane]-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-spiro[2,3-dihydroquinoline-4,1'-cyclobutane]-1-ylpropanamide
PubChem CID129409114
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(2S)-2-spiro[2,3-dihydroquinoline-4,1'-cyclobutane]-1-ylpropanamide
SMILESC[C@@H](C(N)=O)N1CCC2(CCC2)c2ccccc21
InChIInChI=1S/C15H20N2O/c1-11(14(16)18)17-10-9-15(7-4-8-15)12-5-2-3-6-13(12)17/h2-3,5-6,11H,4,7-10H2,1H3,(H2,16,18)/t11-/m0/s1
InChIKeyZLPQRGFXQORDHN-NSHDSACASA-N
XLogP2.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)propanamide
CID 86712773
2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide
CID 63101431
(2S)-2-[(4S)-4-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]propanamide
CID 125478055
3-amino-2-methyl-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one;hydrochloride
CID 120501177
1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
CID 3039209
spiro[2H-indole-3,1'-cyclohexane]-1-carboxylic acid
CID 175544645
2-methyl-1-(1-sulfanylspiro[2H-indole-3,4'-piperidine]-1'-yl)propan-1-one
CID 143048845
2-methyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropanoic acid
CID 122065639
4-amino-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpentan-1-one;hydrochloride
CID 120562983
phenyl(spiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone
CID 166223400
ethyl 3-(1-carbamoylspiro[3,4-dihydro-2H-1-benzazepine-5,4'-piperidine]-1'-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;molecular hydrogen
CID 162020826
1-propan-2-ylspiro[2H-indole-3,3'-piperidine];hydrochloride
CID 70110226

Frequently Asked Questions

What is the IUPAC name of (2S)-2-spiro[2,3-dihydroquinoline-4,1'-cyclobutane]-1-ylpropanamide?
The IUPAC name of (2S)-2-spiro[2,3-dihydroquinoline-4,1'-cyclobutane]-1-ylpropanamide (CID 129409114) is (2S)-2-spiro[2,3-dihydroquinoline-4,1'-cyclobutane]-1-ylpropanamide.
What is the SMILES notation for (2S)-2-spiro[2,3-dihydroquinoline-4,1'-cyclobutane]-1-ylpropanamide?
The canonical SMILES for (2S)-2-spiro[2,3-dihydroquinoline-4,1'-cyclobutane]-1-ylpropanamide is C[C@@H](C(N)=O)N1CCC2(CCC2)c2ccccc21.
What is the InChIKey of (2S)-2-spiro[2,3-dihydroquinoline-4,1'-cyclobutane]-1-ylpropanamide?
The InChIKey is ZLPQRGFXQORDHN-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(14(16)18)17-10-9-15(7-4-8-15)12-5-2-3-6-13(12)17/h2-3,5-6,11H,4,7-10H2,1H3,(H2,16,18)/t11-/m0/s1.
What are the key properties of (2S)-2-spiro[2,3-dihydroquinoline-4,1'-cyclobutane]-1-ylpropanamide?
(2S)-2-spiro[2,3-dihydroquinoline-4,1'-cyclobutane]-1-ylpropanamide has a molecular weight of 244.34 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-spiro[2,3-dihydroquinoline-4,1'-cyclobutane]-1-ylpropanamide is sourced from PubChem (CID 129409114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).