propan-2-yl N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]carbamate

C14H19NO2 — CID 122550821

IUPACpropan-2-yl N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]carbamate
SMILESCC(C)OC(=O)N[C@@]1(C)CCc2ccccc21
InChIInChI=1S/C14H19NO2/c1-10(2)17-13(16)15-14(3)9-8-11-6-4-5-7-12(11)14/h4-7,10H,8-9H2,1-3H3,(H,15,16)/t14-/m0/s1
InChIKeyDNOXIZYRRYRMQP-AWEZNQCLSA-N
MW233.31 g/mol
LogP2.98
Rot. Bonds2

About propan-2-yl N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]carbamate

propan-2-yl N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]carbamate (PubChem CID 122550821) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is propan-2-yl N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]carbamate
PubChem CID122550821
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namepropan-2-yl N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]carbamate
SMILESCC(C)OC(=O)N[C@@]1(C)CCc2ccccc21
InChIInChI=1S/C14H19NO2/c1-10(2)17-13(16)15-14(3)9-8-11-6-4-5-7-12(11)14/h4-7,10H,8-9H2,1-3H3,(H,15,16)/t14-/m0/s1
InChIKeyDNOXIZYRRYRMQP-AWEZNQCLSA-N
XLogP2.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze propan-2-yl N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]carbamate?
The IUPAC name of propan-2-yl N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]carbamate (CID 122550821) is propan-2-yl N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]carbamate?
The canonical SMILES for propan-2-yl N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]carbamate is CC(C)OC(=O)N[C@@]1(C)CCc2ccccc21.
What is the InChIKey of propan-2-yl N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]carbamate?
The InChIKey is DNOXIZYRRYRMQP-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(2)17-13(16)15-14(3)9-8-11-6-4-5-7-12(11)14/h4-7,10H,8-9H2,1-3H3,(H,15,16)/t14-/m0/s1.
What are the key properties of propan-2-yl N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]carbamate?
propan-2-yl N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]carbamate has a molecular weight of 233.31 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]carbamate is sourced from PubChem (CID 122550821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).