N-[(6R)-6-propan-2-ylcyclohexa-1,3-dien-1-yl]propanamide

C12H19NO — CID 89344236

IUPACN-[(6R)-6-propan-2-ylcyclohexa-1,3-dien-1-yl]propanamide
SMILESCCC(=O)NC1=CC=CC[C@@H]1C(C)C
InChIInChI=1S/C12H19NO/c1-4-12(14)13-11-8-6-5-7-10(11)9(2)3/h5-6,8-10H,4,7H2,1-3H3,(H,13,14)/t10-/m1/s1
InChIKeyPKUYUOJJUNPDDX-SNVBAGLBSA-N
MW193.29 g/mol
LogP2.63
Rot. Bonds3

About N-[(6R)-6-propan-2-ylcyclohexa-1,3-dien-1-yl]propanamide

N-[(6R)-6-propan-2-ylcyclohexa-1,3-dien-1-yl]propanamide (PubChem CID 89344236) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[(6R)-6-propan-2-ylcyclohexa-1,3-dien-1-yl]propanamide.

Molecular Properties

Compound NameN-[(6R)-6-propan-2-ylcyclohexa-1,3-dien-1-yl]propanamide
PubChem CID89344236
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-[(6R)-6-propan-2-ylcyclohexa-1,3-dien-1-yl]propanamide
SMILESCCC(=O)NC1=CC=CC[C@@H]1C(C)C
InChIInChI=1S/C12H19NO/c1-4-12(14)13-11-8-6-5-7-10(11)9(2)3/h5-6,8-10H,4,7H2,1-3H3,(H,13,14)/t10-/m1/s1
InChIKeyPKUYUOJJUNPDDX-SNVBAGLBSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(6R)-6-propan-2-ylcyclohexa-1,3-dien-1-yl]propanamide?
The IUPAC name of N-[(6R)-6-propan-2-ylcyclohexa-1,3-dien-1-yl]propanamide (CID 89344236) is N-[(6R)-6-propan-2-ylcyclohexa-1,3-dien-1-yl]propanamide.
What is the SMILES notation for N-[(6R)-6-propan-2-ylcyclohexa-1,3-dien-1-yl]propanamide?
The canonical SMILES for N-[(6R)-6-propan-2-ylcyclohexa-1,3-dien-1-yl]propanamide is CCC(=O)NC1=CC=CC[C@@H]1C(C)C.
What is the InChIKey of N-[(6R)-6-propan-2-ylcyclohexa-1,3-dien-1-yl]propanamide?
The InChIKey is PKUYUOJJUNPDDX-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-12(14)13-11-8-6-5-7-10(11)9(2)3/h5-6,8-10H,4,7H2,1-3H3,(H,13,14)/t10-/m1/s1.
What are the key properties of N-[(6R)-6-propan-2-ylcyclohexa-1,3-dien-1-yl]propanamide?
N-[(6R)-6-propan-2-ylcyclohexa-1,3-dien-1-yl]propanamide has a molecular weight of 193.29 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6R)-6-propan-2-ylcyclohexa-1,3-dien-1-yl]propanamide is sourced from PubChem (CID 89344236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).