(2-methyl-1H-indol-5-yl)methylcarbamic acid

C11H12N2O2 — CID 118078535

IUPAC(2-methyl-1H-indol-5-yl)methylcarbamic acid
SMILESCc1cc2cc(CNC(=O)O)ccc2[nH]1
InChIInChI=1S/C11H12N2O2/c1-7-4-9-5-8(6-12-11(14)15)2-3-10(9)13-7/h2-5,12-13H,6H2,1H3,(H,14,15)
InChIKeyLWKOUUHFSXLDIX-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.24
Rot. Bonds2

About (2-methyl-1H-indol-5-yl)methylcarbamic acid

(2-methyl-1H-indol-5-yl)methylcarbamic acid (PubChem CID 118078535) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is (2-methyl-1H-indol-5-yl)methylcarbamic acid.

Molecular Properties

Compound Name(2-methyl-1H-indol-5-yl)methylcarbamic acid
PubChem CID118078535
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name(2-methyl-1H-indol-5-yl)methylcarbamic acid
SMILESCc1cc2cc(CNC(=O)O)ccc2[nH]1
InChIInChI=1S/C11H12N2O2/c1-7-4-9-5-8(6-12-11(14)15)2-3-10(9)13-7/h2-5,12-13H,6H2,1H3,(H,14,15)
InChIKeyLWKOUUHFSXLDIX-UHFFFAOYSA-N
XLogP2.24
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]propanamide
CID 7158869
1-tert-butyl-3-[(2-methyl-1H-indol-5-yl)methyl]urea
CID 110668194
4-fluoro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096418
(E)-2-methyl-N-[(2-methyl-1H-indol-5-yl)methyl]-3-phenylprop-2-enamide
CID 110425618
N-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 138042465
1,2-dimethyl-3-[(2-methyl-1H-indol-5-yl)methyl]guanidine
CID 166192902
2,4-dichloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096662
3-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096420
N-benzyl-2-methyl-1H-indole-5-carboxamide
CID 110695037
2-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 4549485
3-bromo-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 167798638
2,2-dimethyl-N-[2-(2-methyl-1H-indol-5-yl)ethyl]propanamide
CID 110734611

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1H-indol-5-yl)methylcarbamic acid?
The IUPAC name of (2-methyl-1H-indol-5-yl)methylcarbamic acid (CID 118078535) is (2-methyl-1H-indol-5-yl)methylcarbamic acid.
What is the SMILES notation for (2-methyl-1H-indol-5-yl)methylcarbamic acid?
The canonical SMILES for (2-methyl-1H-indol-5-yl)methylcarbamic acid is Cc1cc2cc(CNC(=O)O)ccc2[nH]1.
What is the InChIKey of (2-methyl-1H-indol-5-yl)methylcarbamic acid?
The InChIKey is LWKOUUHFSXLDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-4-9-5-8(6-12-11(14)15)2-3-10(9)13-7/h2-5,12-13H,6H2,1H3,(H,14,15).
What are the key properties of (2-methyl-1H-indol-5-yl)methylcarbamic acid?
(2-methyl-1H-indol-5-yl)methylcarbamic acid has a molecular weight of 204.23 g/mol, XLogP of 2.24, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1H-indol-5-yl)methylcarbamic acid is sourced from PubChem (CID 118078535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).