(1-carbamoylcyclobutyl) 1H-indole-2-carboxylate

C14H14N2O3 — CID 91407160

IUPAC(1-carbamoylcyclobutyl) 1H-indole-2-carboxylate
SMILESNC(=O)C1(OC(=O)c2cc3ccccc3[nH]2)CCC1
InChIInChI=1S/C14H14N2O3/c15-13(18)14(6-3-7-14)19-12(17)11-8-9-4-1-2-5-10(9)16-11/h1-2,4-5,8,16H,3,6-7H2,(H2,15,18)
InChIKeyQHNYSWCEXUTKQN-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.73
Rot. Bonds3

About (1-carbamoylcyclobutyl) 1H-indole-2-carboxylate

(1-carbamoylcyclobutyl) 1H-indole-2-carboxylate (PubChem CID 91407160) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is (1-carbamoylcyclobutyl) 1H-indole-2-carboxylate.

Molecular Properties

Compound Name(1-carbamoylcyclobutyl) 1H-indole-2-carboxylate
PubChem CID91407160
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name(1-carbamoylcyclobutyl) 1H-indole-2-carboxylate
SMILESNC(=O)C1(OC(=O)c2cc3ccccc3[nH]2)CCC1
InChIInChI=1S/C14H14N2O3/c15-13(18)14(6-3-7-14)19-12(17)11-8-9-4-1-2-5-10(9)16-11/h1-2,4-5,8,16H,3,6-7H2,(H2,15,18)
InChIKeyQHNYSWCEXUTKQN-UHFFFAOYSA-N
XLogP1.73
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-carbamoylcyclohexyl) 2-oxo-1H-quinoline-3-carboxylate
CID 90686038
chloro 1H-indole-2-carboxylate
CID 68813525
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
[2-(cyclopentylamino)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723573
(2,2,6,6-tetramethylpiperidin-4-yl) 1H-indole-2-carboxylate
CID 54385727
(7S)-6-(1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide
CID 171088079
butyl 1H-indole-2-carboxylate
CID 54052397
pyridin-2-ylmethyl 1H-indole-2-carboxylate
CID 46558412
N-[(1-methoxycyclobutyl)methyl]-1H-indole-2-carboxamide
CID 103993280
1-[(1H-indole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362845
1H-indole-2-carbothioic S-acid
CID 4713092
[(1S)-2-oxocyclohexyl] 1H-indole-2-carboxylate
CID 8013052

Frequently Asked Questions

What is the IUPAC name of (1-carbamoylcyclobutyl) 1H-indole-2-carboxylate?
The IUPAC name of (1-carbamoylcyclobutyl) 1H-indole-2-carboxylate (CID 91407160) is (1-carbamoylcyclobutyl) 1H-indole-2-carboxylate.
What is the SMILES notation for (1-carbamoylcyclobutyl) 1H-indole-2-carboxylate?
The canonical SMILES for (1-carbamoylcyclobutyl) 1H-indole-2-carboxylate is NC(=O)C1(OC(=O)c2cc3ccccc3[nH]2)CCC1.
What is the InChIKey of (1-carbamoylcyclobutyl) 1H-indole-2-carboxylate?
The InChIKey is QHNYSWCEXUTKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c15-13(18)14(6-3-7-14)19-12(17)11-8-9-4-1-2-5-10(9)16-11/h1-2,4-5,8,16H,3,6-7H2,(H2,15,18).
What are the key properties of (1-carbamoylcyclobutyl) 1H-indole-2-carboxylate?
(1-carbamoylcyclobutyl) 1H-indole-2-carboxylate has a molecular weight of 258.28 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbamoylcyclobutyl) 1H-indole-2-carboxylate is sourced from PubChem (CID 91407160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).