(1S,2S,3S,7S,8R,10R)-N-(cyclopropylmethyl)pentacyclo[4.4.0.02,4.03,7.08,10]decane-9-carboxamide

C15H19NO — CID 124723653

IUPAC(1S,2S,3S,7S,8R,10R)-N-(cyclopropylmethyl)pentacyclo[4.4.0.02,4.03,7.08,10]decane-9-carboxamide
SMILESO=C(NCC1CC1)C1[C@@H]2[C@H]3C4CC5[C@H]3[C@H]5[C@H]4[C@@H]12
InChIInChI=1S/C15H19NO/c17-15(16-4-5-1-2-5)14-12-10-7-3-6-8(10)9(6)11(7)13(12)14/h5-14H,1-4H2,(H,16,17)/t6?,7?,8-,9-,10-,11-,12+,13+,14?/m0/s1
InChIKeyWZVNWIOAJICPLB-VXKHGAQVSA-N
MW229.32 g/mol
LogP1.52
Rot. Bonds3

About (1S,2S,3S,7S,8R,10R)-N-(cyclopropylmethyl)pentacyclo[4.4.0.02,4.03,7.08,10]decane-9-carboxamide

(1S,2S,3S,7S,8R,10R)-N-(cyclopropylmethyl)pentacyclo[4.4.0.02,4.03,7.08,10]decane-9-carboxamide (PubChem CID 124723653) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (1S,2S,3S,7S,8R,10R)-N-(cyclopropylmethyl)pentacyclo[4.4.0.02,4.03,7.08,10]decane-9-carboxamide.

Molecular Properties

Compound Name(1S,2S,3S,7S,8R,10R)-N-(cyclopropylmethyl)pentacyclo[4.4.0.02,4.03,7.08,10]decane-9-carboxamide
PubChem CID124723653
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(1S,2S,3S,7S,8R,10R)-N-(cyclopropylmethyl)pentacyclo[4.4.0.02,4.03,7.08,10]decane-9-carboxamide
SMILESO=C(NCC1CC1)C1[C@@H]2[C@H]3C4CC5[C@H]3[C@H]5[C@H]4[C@@H]12
InChIInChI=1S/C15H19NO/c17-15(16-4-5-1-2-5)14-12-10-7-3-6-8(10)9(6)11(7)13(12)14/h5-14H,1-4H2,(H,16,17)/t6?,7?,8-,9-,10-,11-,12+,13+,14?/m0/s1
InChIKeyWZVNWIOAJICPLB-VXKHGAQVSA-N
XLogP1.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,7S,8R,10R)-N-(cyclopropylmethyl)pentacyclo[4.4.0.02,4.03,7.08,10]decane-9-carboxamide?
The IUPAC name of (1S,2S,3S,7S,8R,10R)-N-(cyclopropylmethyl)pentacyclo[4.4.0.02,4.03,7.08,10]decane-9-carboxamide (CID 124723653) is (1S,2S,3S,7S,8R,10R)-N-(cyclopropylmethyl)pentacyclo[4.4.0.02,4.03,7.08,10]decane-9-carboxamide.
What is the SMILES notation for (1S,2S,3S,7S,8R,10R)-N-(cyclopropylmethyl)pentacyclo[4.4.0.02,4.03,7.08,10]decane-9-carboxamide?
The canonical SMILES for (1S,2S,3S,7S,8R,10R)-N-(cyclopropylmethyl)pentacyclo[4.4.0.02,4.03,7.08,10]decane-9-carboxamide is O=C(NCC1CC1)C1[C@@H]2[C@H]3C4CC5[C@H]3[C@H]5[C@H]4[C@@H]12.
What is the InChIKey of (1S,2S,3S,7S,8R,10R)-N-(cyclopropylmethyl)pentacyclo[4.4.0.02,4.03,7.08,10]decane-9-carboxamide?
The InChIKey is WZVNWIOAJICPLB-VXKHGAQVSA-N. The full InChI is InChI=1S/C15H19NO/c17-15(16-4-5-1-2-5)14-12-10-7-3-6-8(10)9(6)11(7)13(12)14/h5-14H,1-4H2,(H,16,17)/t6?,7?,8-,9-,10-,11-,12+,13+,14?/m0/s1.
What are the key properties of (1S,2S,3S,7S,8R,10R)-N-(cyclopropylmethyl)pentacyclo[4.4.0.02,4.03,7.08,10]decane-9-carboxamide?
(1S,2S,3S,7S,8R,10R)-N-(cyclopropylmethyl)pentacyclo[4.4.0.02,4.03,7.08,10]decane-9-carboxamide has a molecular weight of 229.32 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,7S,8R,10R)-N-(cyclopropylmethyl)pentacyclo[4.4.0.02,4.03,7.08,10]decane-9-carboxamide is sourced from PubChem (CID 124723653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).