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

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Related Compounds

methyl N-(1-methyl-2,3-dihydroinden-1-yl)carbamate
CID 145156027
3,3-dimethyl-N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]butanamide
CID 122550804
propan-2-yl 2',2'-dimethylspiro[1,2-dihydroindene-3,3'-cyclopropane]-1'-carboxylate
CID 90361309
1-propan-2-yloxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 114991852
benzyl N-(1,6-dimethyl-2,3-dihydroinden-1-yl)carbamate
CID 145156063
2-[(1-methyl-2,3-dihydroinden-1-yl)amino]ethanol
CID 130905101
propan-2-yl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate
CID 781231
N-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]-2-(4-methylphenyl)acetamide
CID 52525290
(1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 124509477
propan-2-yl N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 116655524
methyl 1-hydroxy-2,3-dihydroindene-1-carboxylate
CID 62213056
(1R)-N-hydroxy-1-methyl-2,3-dihydroindene-1-carboxamide
CID 129027598

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).