N-(1-methylcyclopropyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

C14H13NO — CID 160604964

IUPACN-(1-methylcyclopropyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCC1(NC(=O)C2=C3C=C4CC4=C3C=C2)CC1
InChIInChI=1S/C14H13NO/c1-14(4-5-14)15-13(16)10-3-2-9-11-6-8(11)7-12(9)10/h2-3,7H,4-6H2,1H3,(H,15,16)
InChIKeyRETHHMRNGLKTSU-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.16
Rot. Bonds2

About N-(1-methylcyclopropyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

N-(1-methylcyclopropyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 160604964) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(1-methylcyclopropyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-(1-methylcyclopropyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID160604964
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC NameN-(1-methylcyclopropyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCC1(NC(=O)C2=C3C=C4CC4=C3C=C2)CC1
InChIInChI=1S/C14H13NO/c1-14(4-5-14)15-13(16)10-3-2-9-11-6-8(11)7-12(9)10/h2-3,7H,4-6H2,1H3,(H,15,16)
InChIKeyRETHHMRNGLKTSU-UHFFFAOYSA-N
XLogP2.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclopropyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-(1-methylcyclopropyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 160604964) is N-(1-methylcyclopropyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-(1-methylcyclopropyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-(1-methylcyclopropyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is CC1(NC(=O)C2=C3C=C4CC4=C3C=C2)CC1.
What is the InChIKey of N-(1-methylcyclopropyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is RETHHMRNGLKTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c1-14(4-5-14)15-13(16)10-3-2-9-11-6-8(11)7-12(9)10/h2-3,7H,4-6H2,1H3,(H,15,16).
What are the key properties of N-(1-methylcyclopropyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-(1-methylcyclopropyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 211.26 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclopropyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 160604964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).