cis-(1S,2S)-2-formyl-N-propan-2-ylcyclopropane-1-carboxamide

C8H13NO2 — CID 167023245

IUPACcis-(1S,2S)-2-formyl-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)NC(=O)[C@H]1C[C@@H]1C=O
InChIInChI=1S/C8H13NO2/c1-5(2)9-8(11)7-3-6(7)4-10/h4-7H,3H2,1-2H3,(H,9,11)/t6-,7+/m1/s1
InChIKeyURFCOTPUGPVGFG-RQJHMYQMSA-N
MW155.20 g/mol
LogP0.35
Rot. Bonds3

About cis-(1S,2S)-2-formyl-N-propan-2-ylcyclopropane-1-carboxamide

cis-(1S,2S)-2-formyl-N-propan-2-ylcyclopropane-1-carboxamide (PubChem CID 167023245) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is cis-(1S,2S)-2-formyl-N-propan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-2-formyl-N-propan-2-ylcyclopropane-1-carboxamide
PubChem CID167023245
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namecis-(1S,2S)-2-formyl-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)NC(=O)[C@H]1C[C@@H]1C=O
InChIInChI=1S/C8H13NO2/c1-5(2)9-8(11)7-3-6(7)4-10/h4-7H,3H2,1-2H3,(H,9,11)/t6-,7+/m1/s1
InChIKeyURFCOTPUGPVGFG-RQJHMYQMSA-N
XLogP0.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-formyl-N-propan-2-ylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-2-formyl-N-propan-2-ylcyclopropane-1-carboxamide (CID 167023245) is cis-(1S,2S)-2-formyl-N-propan-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-2-formyl-N-propan-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-2-formyl-N-propan-2-ylcyclopropane-1-carboxamide is CC(C)NC(=O)[C@H]1C[C@@H]1C=O.
What is the InChIKey of cis-(1S,2S)-2-formyl-N-propan-2-ylcyclopropane-1-carboxamide?
The InChIKey is URFCOTPUGPVGFG-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5(2)9-8(11)7-3-6(7)4-10/h4-7H,3H2,1-2H3,(H,9,11)/t6-,7+/m1/s1.
What are the key properties of cis-(1S,2S)-2-formyl-N-propan-2-ylcyclopropane-1-carboxamide?
cis-(1S,2S)-2-formyl-N-propan-2-ylcyclopropane-1-carboxamide has a molecular weight of 155.20 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-formyl-N-propan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 167023245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).