CID 156727576

C11H19AlN2O — CID 156727576

IUPAC—
SMILESCCN(CC)C(=O)[C@H]1C=C([Al])CN(C)C1
InChIInChI=1S/C11H19N2O.Al/c1-4-13(5-2)11(14)10-7-6-8-12(3)9-10;/h7,10H,4-5,8-9H2,1-3H3;/t10-;/m0./s1
InChIKeySRQUVWBAPPWQGZ-PPHPATTJSA-N
MW222.27 g/mol
LogP0.47
Rot. Bonds3

About CID 156727576

CID 156727576 (PubChem CID 156727576) has the molecular formula C11H19AlN2O and a molecular weight of 222.27 g/mol.

Molecular Properties

Compound NameCID 156727576
PubChem CID156727576
Molecular FormulaC11H19AlN2O
Molecular Weight222.27 g/mol
Exact Mass222.13
IUPAC Name—
SMILESCCN(CC)C(=O)[C@H]1C=C([Al])CN(C)C1
InChIInChI=1S/C11H19N2O.Al/c1-4-13(5-2)11(14)10-7-6-8-12(3)9-10;/h7,10H,4-5,8-9H2,1-3H3;/t10-;/m0./s1
InChIKeySRQUVWBAPPWQGZ-PPHPATTJSA-N
XLogP0.47
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-5-(4-methoxy-1H-indol-7-yl)-1-methyl-3,6-dihydro-2H-pyridine-3-carboxamide
CID 176977741
9-bromo-N,N-diethyl-6,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene-4-carboxamide
CID 169001496
(4R,7S)-14-chloro-N,N-diethyl-6-methyl-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene-4-carboxamide
CID 176977727
(4R)-N,N-diethyl-6,11-dimethyl-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,10,12(16),13-pentaene-4-carboxamide
CID 176977745
CID 176569796
CID 176569796
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CID 168945046
CID 168945046
N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 3981
(4R)-N,N-diethyl-11-formyl-6-methyl-6,11-diazatetracyclo[7.6.2.02,7.012,16]heptadeca-1(16),2,9,12,14-pentaene-4-carboxamide
CID 170763779
(9R)-4-acetyl-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 168945021
N,N-diethyl-5,5a-dihydroxy-7-propyl-4,5,6,6a,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 169048317
CID 168945053
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Frequently Asked Questions

What is the IUPAC name of CID 156727576?
The IUPAC name of CID 156727576 (CID 156727576) is not available.
What is the SMILES notation for CID 156727576?
The canonical SMILES for CID 156727576 is CCN(CC)C(=O)[C@H]1C=C([Al])CN(C)C1.
What is the InChIKey of CID 156727576?
The InChIKey is SRQUVWBAPPWQGZ-PPHPATTJSA-N. The full InChI is InChI=1S/C11H19N2O.Al/c1-4-13(5-2)11(14)10-7-6-8-12(3)9-10;/h7,10H,4-5,8-9H2,1-3H3;/t10-;/m0./s1.
What are the key properties of CID 156727576?
CID 156727576 has a molecular weight of 222.27 g/mol, XLogP of 0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156727576 is sourced from PubChem (CID 156727576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).