4-[(1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]pyridine

C16H15N — CID 10443504

IUPAC4-[(1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]pyridine
SMILESc1ccc2c(c1)CC[C@@H]1C(c3ccncc3)[C@H]21
InChIInChI=1S/C16H15N/c1-2-4-13-11(3-1)5-6-14-15(16(13)14)12-7-9-17-10-8-12/h1-4,7-10,14-16H,5-6H2/t14-,15?,16-/m1/s1
InChIKeyKNIGVLQBCXKAGG-YTPLPTRZSA-N
MW221.30 g/mol
LogP3.53
Rot. Bonds1

About 4-[(1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]pyridine

4-[(1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]pyridine (PubChem CID 10443504) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[(1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]pyridine.

Molecular Properties

Compound Name4-[(1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]pyridine
PubChem CID10443504
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name4-[(1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]pyridine
SMILESc1ccc2c(c1)CC[C@@H]1C(c3ccncc3)[C@H]21
InChIInChI=1S/C16H15N/c1-2-4-13-11(3-1)5-6-14-15(16(13)14)12-7-9-17-10-8-12/h1-4,7-10,14-16H,5-6H2/t14-,15?,16-/m1/s1
InChIKeyKNIGVLQBCXKAGG-YTPLPTRZSA-N
XLogP3.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]pyridine?
The IUPAC name of 4-[(1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]pyridine (CID 10443504) is 4-[(1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]pyridine.
What is the SMILES notation for 4-[(1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]pyridine?
The canonical SMILES for 4-[(1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]pyridine is c1ccc2c(c1)CC[C@@H]1C(c3ccncc3)[C@H]21.
What is the InChIKey of 4-[(1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]pyridine?
The InChIKey is KNIGVLQBCXKAGG-YTPLPTRZSA-N. The full InChI is InChI=1S/C16H15N/c1-2-4-13-11(3-1)5-6-14-15(16(13)14)12-7-9-17-10-8-12/h1-4,7-10,14-16H,5-6H2/t14-,15?,16-/m1/s1.
What are the key properties of 4-[(1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]pyridine?
4-[(1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]pyridine has a molecular weight of 221.30 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]pyridine is sourced from PubChem (CID 10443504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).