2,3-dihydro-1H-inden-1-yl(methoxy)carbamic acid

C11H13NO3 — CID 87438864

IUPAC2,3-dihydro-1H-inden-1-yl(methoxy)carbamic acid
SMILESCON(C(=O)O)C1CCc2ccccc21
InChIInChI=1S/C11H13NO3/c1-15-12(11(13)14)10-7-6-8-4-2-3-5-9(8)10/h2-5,10H,6-7H2,1H3,(H,13,14)
InChIKeyQSIYLSKWGXOPSF-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.22
Rot. Bonds2

About 2,3-dihydro-1H-inden-1-yl(methoxy)carbamic acid

2,3-dihydro-1H-inden-1-yl(methoxy)carbamic acid (PubChem CID 87438864) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-1-yl(methoxy)carbamic acid.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-1-yl(methoxy)carbamic acid
PubChem CID87438864
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2,3-dihydro-1H-inden-1-yl(methoxy)carbamic acid
SMILESCON(C(=O)O)C1CCc2ccccc21
InChIInChI=1S/C11H13NO3/c1-15-12(11(13)14)10-7-6-8-4-2-3-5-9(8)10/h2-5,10H,6-7H2,1H3,(H,13,14)
InChIKeyQSIYLSKWGXOPSF-UHFFFAOYSA-N
XLogP2.22
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydro-1H-inden-1-yl(2-methoxyethoxy)carbamic acid
CID 122658030
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026509
2-[carboxymethyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026801
N-bromo-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 87131302
tert-butyl N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-hydroxyethyl)carbamate
CID 99579006
4-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-4-oxobutanoic acid
CID 43578444
N-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 915645
N-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 3756805
methyl 5-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]pentanoate
CID 100664309
2-[propyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 65064550
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-N-methylbenzamide
CID 18283889
2-[2-methylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 65064011

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-1-yl(methoxy)carbamic acid?
The IUPAC name of 2,3-dihydro-1H-inden-1-yl(methoxy)carbamic acid (CID 87438864) is 2,3-dihydro-1H-inden-1-yl(methoxy)carbamic acid.
What is the SMILES notation for 2,3-dihydro-1H-inden-1-yl(methoxy)carbamic acid?
The canonical SMILES for 2,3-dihydro-1H-inden-1-yl(methoxy)carbamic acid is CON(C(=O)O)C1CCc2ccccc21.
What is the InChIKey of 2,3-dihydro-1H-inden-1-yl(methoxy)carbamic acid?
The InChIKey is QSIYLSKWGXOPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-15-12(11(13)14)10-7-6-8-4-2-3-5-9(8)10/h2-5,10H,6-7H2,1H3,(H,13,14).
What are the key properties of 2,3-dihydro-1H-inden-1-yl(methoxy)carbamic acid?
2,3-dihydro-1H-inden-1-yl(methoxy)carbamic acid has a molecular weight of 207.23 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-1-yl(methoxy)carbamic acid is sourced from PubChem (CID 87438864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).