N-[(3S,3aR,6aS)-1-(cyclopropylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-1-methylpyrrole-2-carboxamide

C16H23N3O2 — CID 97459656

IUPACN-[(3S,3aR,6aS)-1-(cyclopropylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)N[C@@H]1CN(CC2CC2)[C@@H]2COC[C@@H]21
InChIInChI=1S/C16H23N3O2/c1-18-6-2-3-14(18)16(20)17-13-8-19(7-11-4-5-11)15-10-21-9-12(13)15/h2-3,6,11-13,15H,4-5,7-10H2,1H3,(H,17,20)/t12-,13-,15-/m1/s1
InChIKeyZZUIQPAGFCXFFC-UMVBOHGHSA-N
MW289.38 g/mol
LogP0.86
Rot. Bonds4

About N-[(3S,3aR,6aS)-1-(cyclopropylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-1-methylpyrrole-2-carboxamide

N-[(3S,3aR,6aS)-1-(cyclopropylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-1-methylpyrrole-2-carboxamide (PubChem CID 97459656) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(3S,3aR,6aS)-1-(cyclopropylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,3aR,6aS)-1-(cyclopropylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-1-methylpyrrole-2-carboxamide
PubChem CID97459656
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[(3S,3aR,6aS)-1-(cyclopropylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)N[C@@H]1CN(CC2CC2)[C@@H]2COC[C@@H]21
InChIInChI=1S/C16H23N3O2/c1-18-6-2-3-14(18)16(20)17-13-8-19(7-11-4-5-11)15-10-21-9-12(13)15/h2-3,6,11-13,15H,4-5,7-10H2,1H3,(H,17,20)/t12-,13-,15-/m1/s1
InChIKeyZZUIQPAGFCXFFC-UMVBOHGHSA-N
XLogP0.86
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3S,3aR,6aS)-1-(cyclopropylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-1-methylpyrrole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,3aR,6aS)-1-(cyclopropylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[(3S,3aR,6aS)-1-(cyclopropylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-1-methylpyrrole-2-carboxamide (CID 97459656) is N-[(3S,3aR,6aS)-1-(cyclopropylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(3S,3aR,6aS)-1-(cyclopropylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[(3S,3aR,6aS)-1-(cyclopropylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)N[C@@H]1CN(CC2CC2)[C@@H]2COC[C@@H]21.
What is the InChIKey of N-[(3S,3aR,6aS)-1-(cyclopropylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-1-methylpyrrole-2-carboxamide?
The InChIKey is ZZUIQPAGFCXFFC-UMVBOHGHSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-18-6-2-3-14(18)16(20)17-13-8-19(7-11-4-5-11)15-10-21-9-12(13)15/h2-3,6,11-13,15H,4-5,7-10H2,1H3,(H,17,20)/t12-,13-,15-/m1/s1.
What are the key properties of N-[(3S,3aR,6aS)-1-(cyclopropylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-1-methylpyrrole-2-carboxamide?
N-[(3S,3aR,6aS)-1-(cyclopropylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-1-methylpyrrole-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,3aR,6aS)-1-(cyclopropylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 97459656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).