N-[[(1R,2R,4R,6R,7S,8R)-8-[(prop-2-enoylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide

C18H26N2O2 — CID 124925910

IUPACN-[[(1R,2R,4R,6R,7S,8R)-8-[(prop-2-enoylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide
SMILESC=CC(=O)NC[C@H]1C[C@@H]2[C@H](C1)[C@H]1C[C@@H](CNC(=O)C=C)[C@H]2C1
InChIInChI=1S/C18H26N2O2/c1-3-17(21)19-9-11-5-14-12-7-13(10-20-18(22)4-2)15(8-12)16(14)6-11/h3-4,11-16H,1-2,5-10H2,(H,19,21)(H,20,22)/t11-,12+,13+,14-,15-,16-/m1/s1
InChIKeyDXVBNLBQGUEJQN-HIFUNWJGSA-N
MW302.42 g/mol
LogP1.89
Rot. Bonds6

About N-[[(1R,2R,4R,6R,7S,8R)-8-[(prop-2-enoylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide

N-[[(1R,2R,4R,6R,7S,8R)-8-[(prop-2-enoylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide (PubChem CID 124925910) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[[(1R,2R,4R,6R,7S,8R)-8-[(prop-2-enoylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[(1R,2R,4R,6R,7S,8R)-8-[(prop-2-enoylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide
PubChem CID124925910
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[[(1R,2R,4R,6R,7S,8R)-8-[(prop-2-enoylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide
SMILESC=CC(=O)NC[C@H]1C[C@@H]2[C@H](C1)[C@H]1C[C@@H](CNC(=O)C=C)[C@H]2C1
InChIInChI=1S/C18H26N2O2/c1-3-17(21)19-9-11-5-14-12-7-13(10-20-18(22)4-2)15(8-12)16(14)6-11/h3-4,11-16H,1-2,5-10H2,(H,19,21)(H,20,22)/t11-,12+,13+,14-,15-,16-/m1/s1
InChIKeyDXVBNLBQGUEJQN-HIFUNWJGSA-N
XLogP1.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[[(1R,2R,4R,6R,7S,8R)-8-[(prop-2-enoylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R,4R,6R,7S,8R)-8-[(prop-2-enoylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide?
The IUPAC name of N-[[(1R,2R,4R,6R,7S,8R)-8-[(prop-2-enoylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide (CID 124925910) is N-[[(1R,2R,4R,6R,7S,8R)-8-[(prop-2-enoylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[(1R,2R,4R,6R,7S,8R)-8-[(prop-2-enoylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide?
The canonical SMILES for N-[[(1R,2R,4R,6R,7S,8R)-8-[(prop-2-enoylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide is C=CC(=O)NC[C@H]1C[C@@H]2[C@H](C1)[C@H]1C[C@@H](CNC(=O)C=C)[C@H]2C1.
What is the InChIKey of N-[[(1R,2R,4R,6R,7S,8R)-8-[(prop-2-enoylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide?
The InChIKey is DXVBNLBQGUEJQN-HIFUNWJGSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-17(21)19-9-11-5-14-12-7-13(10-20-18(22)4-2)15(8-12)16(14)6-11/h3-4,11-16H,1-2,5-10H2,(H,19,21)(H,20,22)/t11-,12+,13+,14-,15-,16-/m1/s1.
What are the key properties of N-[[(1R,2R,4R,6R,7S,8R)-8-[(prop-2-enoylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide?
N-[[(1R,2R,4R,6R,7S,8R)-8-[(prop-2-enoylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide has a molecular weight of 302.42 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R,4R,6R,7S,8R)-8-[(prop-2-enoylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide is sourced from PubChem (CID 124925910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).