[(4aR,5R,6R,7R)-7-methoxy-1,3,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]indol-6-yl] carbamate

C18H24N2O4 — CID 57172781

IUPAC[(4aR,5R,6R,7R)-7-methoxy-1,3,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]indol-6-yl] carbamate
SMILESCO[C@@H]1C=C2C=C3C(=C(C)C(=O)N3C)C[C@]2(C)[C@@H](C)[C@H]1OC(N)=O
InChIInChI=1S/C18H24N2O4/c1-9-12-8-18(3)10(2)15(24-17(19)22)14(23-5)7-11(18)6-13(12)20(4)16(9)21/h6-7,10,14-15H,8H2,1-5H3,(H2,19,22)/t10-,14+,15+,18+/m0/s1
InChIKeyIZVSKRYZARPOID-QMJNRFBBSA-N
MW332.40 g/mol
LogP2.12
Rot. Bonds2

About [(4aR,5R,6R,7R)-7-methoxy-1,3,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]indol-6-yl] carbamate

[(4aR,5R,6R,7R)-7-methoxy-1,3,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]indol-6-yl] carbamate (PubChem CID 57172781) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is [(4aR,5R,6R,7R)-7-methoxy-1,3,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]indol-6-yl] carbamate.

Molecular Properties

Compound Name[(4aR,5R,6R,7R)-7-methoxy-1,3,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]indol-6-yl] carbamate
PubChem CID57172781
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name[(4aR,5R,6R,7R)-7-methoxy-1,3,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]indol-6-yl] carbamate
SMILESCO[C@@H]1C=C2C=C3C(=C(C)C(=O)N3C)C[C@]2(C)[C@@H](C)[C@H]1OC(N)=O
InChIInChI=1S/C18H24N2O4/c1-9-12-8-18(3)10(2)15(24-17(19)22)14(23-5)7-11(18)6-13(12)20(4)16(9)21/h6-7,10,14-15H,8H2,1-5H3,(H2,19,22)/t10-,14+,15+,18+/m0/s1
InChIKeyIZVSKRYZARPOID-QMJNRFBBSA-N
XLogP2.12
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(4aR,5R,6R,7R)-7-methoxy-1,3,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]indol-6-yl] carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4aR,5R,6R,7R)-7-methoxy-1,3,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]indol-6-yl] carbamate?
The IUPAC name of [(4aR,5R,6R,7R)-7-methoxy-1,3,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]indol-6-yl] carbamate (CID 57172781) is [(4aR,5R,6R,7R)-7-methoxy-1,3,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]indol-6-yl] carbamate.
What is the SMILES notation for [(4aR,5R,6R,7R)-7-methoxy-1,3,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]indol-6-yl] carbamate?
The canonical SMILES for [(4aR,5R,6R,7R)-7-methoxy-1,3,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]indol-6-yl] carbamate is CO[C@@H]1C=C2C=C3C(=C(C)C(=O)N3C)C[C@]2(C)[C@@H](C)[C@H]1OC(N)=O.
What is the InChIKey of [(4aR,5R,6R,7R)-7-methoxy-1,3,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]indol-6-yl] carbamate?
The InChIKey is IZVSKRYZARPOID-QMJNRFBBSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-9-12-8-18(3)10(2)15(24-17(19)22)14(23-5)7-11(18)6-13(12)20(4)16(9)21/h6-7,10,14-15H,8H2,1-5H3,(H2,19,22)/t10-,14+,15+,18+/m0/s1.
What are the key properties of [(4aR,5R,6R,7R)-7-methoxy-1,3,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]indol-6-yl] carbamate?
[(4aR,5R,6R,7R)-7-methoxy-1,3,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]indol-6-yl] carbamate has a molecular weight of 332.40 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,5R,6R,7R)-7-methoxy-1,3,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]indol-6-yl] carbamate is sourced from PubChem (CID 57172781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).