7-(propan-2-ylamino)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one

C14H19NO — CID 19789819

IUPAC7-(propan-2-ylamino)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
SMILESCC(C)NC1CCc2ccccc2C(=O)C1
InChIInChI=1S/C14H19NO/c1-10(2)15-12-8-7-11-5-3-4-6-13(11)14(16)9-12/h3-6,10,12,15H,7-9H2,1-2H3
InChIKeySWEHCJSVHQLOII-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.57
Rot. Bonds2

About 7-(propan-2-ylamino)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one

7-(propan-2-ylamino)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one (PubChem CID 19789819) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 7-(propan-2-ylamino)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one.

Molecular Properties

Compound Name7-(propan-2-ylamino)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
PubChem CID19789819
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name7-(propan-2-ylamino)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
SMILESCC(C)NC1CCc2ccccc2C(=O)C1
InChIInChI=1S/C14H19NO/c1-10(2)15-12-8-7-11-5-3-4-6-13(11)14(16)9-12/h3-6,10,12,15H,7-9H2,1-2H3
InChIKeySWEHCJSVHQLOII-UHFFFAOYSA-N
XLogP2.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one
CID 84620035
2-[(1S)-1-hydroxyethyl]-3,4-dihydro-2H-naphthalen-1-one
CID 100977502
N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81351587
7-[(dimethylamino)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 154119920
N,N-dimethyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanamide
CID 43226352
3-chloro-7-(methylamino)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 54217358
7-methoxy-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510216
1-N,1-N-dimethyl-2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propane-1,2-diamine
CID 82944891
N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43223105
5,8-dimethoxy-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 14023938
1-methyl-3,3a,4,5-tetrahydrocyclopenta[a]naphthalen-2-one
CID 13128872
(2R)-2-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-one
CID 14921451

Frequently Asked Questions

What is the IUPAC name of 7-(propan-2-ylamino)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
The IUPAC name of 7-(propan-2-ylamino)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one (CID 19789819) is 7-(propan-2-ylamino)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one.
What is the SMILES notation for 7-(propan-2-ylamino)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
The canonical SMILES for 7-(propan-2-ylamino)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one is CC(C)NC1CCc2ccccc2C(=O)C1.
What is the InChIKey of 7-(propan-2-ylamino)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
The InChIKey is SWEHCJSVHQLOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10(2)15-12-8-7-11-5-3-4-6-13(11)14(16)9-12/h3-6,10,12,15H,7-9H2,1-2H3.
What are the key properties of 7-(propan-2-ylamino)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
7-(propan-2-ylamino)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one has a molecular weight of 217.31 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(propan-2-ylamino)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one is sourced from PubChem (CID 19789819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).