2,3-dihydro-1H-inden-5-yl N-propan-2-ylcarbamate

C13H17NO2 — CID 127549123

IUPAC2,3-dihydro-1H-inden-5-yl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1ccc2c(c1)CCC2
InChIInChI=1S/C13H17NO2/c1-9(2)14-13(15)16-12-7-6-10-4-3-5-11(10)8-12/h6-9H,3-5H2,1-2H3,(H,14,15)
InChIKeyDLVNBIWUTJFNET-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.67
Rot. Bonds2

About 2,3-dihydro-1H-inden-5-yl N-propan-2-ylcarbamate

2,3-dihydro-1H-inden-5-yl N-propan-2-ylcarbamate (PubChem CID 127549123) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl N-propan-2-ylcarbamate.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl N-propan-2-ylcarbamate
PubChem CID127549123
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2,3-dihydro-1H-inden-5-yl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1ccc2c(c1)CCC2
InChIInChI=1S/C13H17NO2/c1-9(2)14-13(15)16-12-7-6-10-4-3-5-11(10)8-12/h6-9H,3-5H2,1-2H3,(H,14,15)
InChIKeyDLVNBIWUTJFNET-UHFFFAOYSA-N
XLogP2.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,6,7,8-tetrahydronaphthalen-2-yl N-tert-butylcarbamate
CID 11311209
2,3-dihydro-1H-inden-5-yl 2-amino-3-methylbutanoate
CID 82116252
2-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbutanamide
CID 82041277
2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 60645732
N-propan-2-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60645733
1-O-methyl 4-O-(5,6,7,8-tetrahydronaphthalen-2-yl) butanedioate
CID 94274501
(3-methyl-4-methylsulfanylphenyl) N-propan-2-ylcarbamate
CID 117060576
(5-oxo-7,8-dihydro-6H-naphthalen-2-yl) N-methylcarbamate
CID 12643036
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3-methylbutan-2-yl)acetamide
CID 84602200
2-(2,3-dihydro-1H-inden-5-yloxy)propanal
CID 126971637
N-(2,4-dimethylpentan-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133185841
2,3-dihydro-1H-inden-5-yl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 4146627

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl N-propan-2-ylcarbamate?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl N-propan-2-ylcarbamate (CID 127549123) is 2,3-dihydro-1H-inden-5-yl N-propan-2-ylcarbamate.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl N-propan-2-ylcarbamate?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl N-propan-2-ylcarbamate is CC(C)NC(=O)Oc1ccc2c(c1)CCC2.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl N-propan-2-ylcarbamate?
The InChIKey is DLVNBIWUTJFNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(2)14-13(15)16-12-7-6-10-4-3-5-11(10)8-12/h6-9H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 2,3-dihydro-1H-inden-5-yl N-propan-2-ylcarbamate?
2,3-dihydro-1H-inden-5-yl N-propan-2-ylcarbamate has a molecular weight of 219.28 g/mol, XLogP of 2.67, 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-5-yl N-propan-2-ylcarbamate is sourced from PubChem (CID 127549123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).